diff --git a/.lockfiles/py310-dev.lock b/.lockfiles/py310-dev.lock index 939e0e5b19..7dc17672c5 100644 --- a/.lockfiles/py310-dev.lock +++ b/.lockfiles/py310-dev.lock @@ -10,7 +10,7 @@ anyio==4.9.0 # jupyter-server appnope==0.1.4 ; sys_platform == 'darwin' # via ipykernel -argon2-cffi==23.1.0 +argon2-cffi==25.1.0 # via jupyter-server argon2-cffi-bindings==21.2.0 # via argon2-cffi @@ -47,9 +47,9 @@ blinker==1.9.0 # via streamlit boolean-py==5.0 # via license-expression -boto3==1.38.20 +boto3==1.38.29 # via baybe (pyproject.toml) -botocore==1.38.20 +botocore==1.38.29 # via # boto3 # s3transfer @@ -61,7 +61,7 @@ cachetools==5.5.2 # via # streamlit # tox -cattrs==24.1.3 +cattrs==25.1.0 # via baybe (pyproject.toml) certifi==2025.4.26 # via @@ -103,7 +103,7 @@ comm==0.2.2 # ipywidgets contourpy==1.3.2 # via matplotlib -coverage==7.8.0 +coverage==7.8.2 # via pytest-cov cycler==0.12.1 # via matplotlib @@ -165,13 +165,13 @@ flake8==7.2.0 # via baybe (pyproject.toml) flatbuffers==25.2.10 # via onnxruntime -fonttools==4.58.0 +fonttools==4.58.1 # via matplotlib formulaic==1.1.1 # via lifelines fqdn==1.5.1 # via jsonschema -fsspec==2025.5.0 +fsspec==2025.5.1 # via # dask # huggingface-hub @@ -192,7 +192,7 @@ gpytorch==1.14 # via # baybe (pyproject.toml) # botorch -grpcio==1.71.0 +grpcio==1.72.1 # via opentelemetry-exporter-otlp-proto-grpc h11==0.16.0 # via httpcore @@ -202,17 +202,19 @@ h5py==3.13.0 # via # h5netcdf # xyzpy +hf-xet==1.1.3 ; platform_machine == 'aarch64' or platform_machine == 'amd64' or platform_machine == 'arm64' or platform_machine == 'x86_64' + # via huggingface-hub httpcore==1.0.9 # via httpx httpx==0.28.1 # via jupyterlab -huggingface-hub==0.31.4 +huggingface-hub==0.32.4 # via scikit-fingerprints humanfriendly==10.0 # via coloredlogs -hypothesis==6.131.20 +hypothesis==6.135.0 # via baybe (pyproject.toml) -identify==2.6.10 +identify==2.6.12 # via pre-commit idna==3.10 # via @@ -237,12 +239,12 @@ ipykernel==6.29.5 # jupyter # jupyter-console # jupyterlab -ipython==8.36.0 ; python_full_version < '3.11' +ipython==8.37.0 ; python_full_version < '3.11' # via # ipykernel # ipywidgets # jupyter-console -ipython==9.2.0 ; python_full_version >= '3.11' +ipython==9.3.0 ; python_full_version >= '3.11' # via # ipykernel # ipywidgets @@ -274,7 +276,7 @@ jmespath==1.0.1 # via # boto3 # botocore -joblib==1.5.0 +joblib==1.5.1 # via # baybe (pyproject.toml) # scikit-fingerprints @@ -284,7 +286,7 @@ json5==0.12.0 # via jupyterlab-server jsonpointer==3.0.0 # via jsonschema -jsonschema==4.23.0 +jsonschema==4.24.0 # via # altair # jupyter-events @@ -302,7 +304,7 @@ jupyter-client==8.6.3 # nbclient jupyter-console==6.6.3 # via jupyter -jupyter-core==5.7.2 +jupyter-core==5.8.1 # via # ipykernel # jupyter-client @@ -325,7 +327,7 @@ jupyter-server==2.16.0 # notebook-shim jupyter-server-terminals==0.5.3 # via jupyter-server -jupyterlab==4.4.2 +jupyterlab==4.4.3 # via # jupyter # notebook @@ -337,7 +339,7 @@ jupyterlab-server==2.27.3 # notebook jupyterlab-widgets==3.0.15 # via ipywidgets -jupytext==1.17.1 +jupytext==1.17.2 # via baybe (pyproject.toml) kiwisolver==1.4.8 # via matplotlib @@ -403,7 +405,7 @@ msgpack==1.1.0 # via cachecontrol multipledispatch==1.0.0 # via botorch -mypy==1.15.0 +mypy==1.16.0 # via baybe (pyproject.toml) mypy-extensions==1.1.0 # via @@ -411,7 +413,7 @@ mypy-extensions==1.1.0 # typing-inspect myst-parser==4.0.1 # via baybe (pyproject.toml) -narwhals==1.40.0 +narwhals==1.41.0 # via # altair # plotly @@ -429,16 +431,21 @@ nbformat==5.10.4 # nbconvert nest-asyncio==1.6.0 # via ipykernel -networkx==3.4.2 +networkx==3.4.2 ; python_full_version < '3.11' # via # mordredcommunity # scikit-image # torch -ngboost==0.5.5 +networkx==3.5 ; python_full_version >= '3.11' + # via + # mordredcommunity + # scikit-image + # torch +ngboost==0.5.6 # via baybe (pyproject.toml) nodeenv==1.9.1 # via pre-commit -notebook==7.4.2 +notebook==7.4.3 # via jupyter notebook-shim==0.2.4 # via @@ -465,7 +472,6 @@ numpy==2.2.6 # ngboost # numba # onnx - # onnxconverter-common # onnxruntime # pandas # pandas-stubs @@ -523,10 +529,7 @@ nvidia-nvtx-cu12==12.6.77 ; platform_machine == 'x86_64' and sys_platform == 'li onnx==1.18.0 # via # baybe (pyproject.toml) - # onnxconverter-common # skl2onnx -onnxconverter-common==1.13.0 - # via skl2onnx onnxruntime==1.22.0 # via baybe (pyproject.toml) openpyxl==3.1.5 @@ -587,7 +590,6 @@ packaging==24.2 # matplotlib # mordredcommunity # nbconvert - # onnxconverter-common # onnxruntime # pip-audit # pip-requirements-parser @@ -617,7 +619,7 @@ pandas==2.2.3 # xyzpy pandas-flavor==0.7.0 # via descriptastorus -pandas-stubs==2.2.3.250308 +pandas-stubs==2.2.3.250527 # via # baybe (pyproject.toml) # types-seaborn @@ -627,6 +629,8 @@ parso==0.8.4 # via jedi partd==1.4.2 # via dask +pathspec==0.12.1 + # via mypy pexpect==4.9.0 ; sys_platform != 'emscripten' and sys_platform != 'win32' # via ipython pillow==11.2.1 @@ -651,27 +655,26 @@ platformdirs==4.3.8 # pip-audit # tox # virtualenv -plotly==6.1.1 +plotly==6.1.2 # via baybe (pyproject.toml) pluggy==1.6.0 # via # pytest # tox -polars==1.29.0 +polars==1.30.0 # via baybe (pyproject.toml) pre-commit==3.7.1 # via baybe (pyproject.toml) -prometheus-client==0.22.0 +prometheus-client==0.22.1 # via jupyter-server prompt-toolkit==3.0.51 # via # ipython # jupyter-console -protobuf==5.29.4 +protobuf==5.29.5 # via # googleapis-common-protos # onnx - # onnxconverter-common # onnxruntime # opentelemetry-proto # streamlit @@ -712,6 +715,7 @@ pygments==2.19.1 # ipython-pygments-lexers # jupyter-console # nbconvert + # pytest # rich # sphinx pyparsing==3.2.3 @@ -728,7 +732,7 @@ pyro-api==0.1.2 # via pyro-ppl pyro-ppl==1.9.1 # via botorch -pytest==8.3.5 +pytest==8.4.0 # via # baybe (pyproject.toml) # pytest-cov @@ -801,15 +805,15 @@ rich==14.0.0 # via pip-audit roman-numerals-py==3.1.0 ; python_full_version >= '3.11' # via sphinx -rpds-py==0.25.0 +rpds-py==0.25.1 # via # jsonschema # referencing ruff==0.11.5 # via baybe (pyproject.toml) -s3transfer==0.12.0 +s3transfer==0.13.0 # via boto3 -scikit-fingerprints==1.15.0 +scikit-fingerprints==1.16.0 # via baybe (pyproject.toml) scikit-image==0.25.2 # via lime @@ -845,7 +849,7 @@ seaborn==0.13.2 # via baybe (pyproject.toml) send2trash==1.8.3 # via jupyter-server -setuptools==80.8.0 +setuptools==80.9.0 # via # jupyterlab # setuptools-scm @@ -862,7 +866,7 @@ six==1.17.0 # pybtex # python-dateutil # rfc3339-validator -skl2onnx==1.18.0 +skl2onnx==1.19.1 # via baybe (pyproject.toml) slicer==0.0.8 # via shap @@ -948,11 +952,13 @@ threadpoolctl==3.6.0 # via # botorch # scikit-learn -tifffile==2025.5.10 +tifffile==2025.5.10 ; python_full_version < '3.11' + # via scikit-image +tifffile==2025.6.1 ; python_full_version >= '3.11' # via scikit-image tinycss2==1.4.0 # via bleach -tokenize-rt==6.1.0 +tokenize-rt==6.2.0 # via pyupgrade toml==0.10.2 # via @@ -980,7 +986,7 @@ torch==2.7.0 # botorch # linear-operator # pyro-ppl -tornado==6.5 +tornado==6.5.1 # via # baybe (pyproject.toml) # ipykernel @@ -992,7 +998,7 @@ tornado==6.5 # terminado tox==4.26.0 # via tox-uv -tox-uv==1.25.0 +tox-uv==1.26.0 # via baybe (pyproject.toml) tqdm==4.67.1 # via @@ -1027,7 +1033,7 @@ types-pytz==2025.2.0.20250516 # via pandas-stubs types-seaborn==0.13.2.20250516 # via baybe (pyproject.toml) -typing-extensions==4.13.2 +typing-extensions==4.14.0 # via # baybe (pyproject.toml) # altair @@ -1062,7 +1068,7 @@ urllib3==2.4.0 # via # botocore # requests -uv==0.7.6 +uv==0.7.10 # via # baybe (pyproject.toml) # tox-uv @@ -1097,5 +1103,5 @@ xarray==2025.4.0 # xyzpy xyzpy==1.2.1 # via baybe (pyproject.toml) -zipp==3.21.0 +zipp==3.22.0 # via importlib-metadata diff --git a/CHANGELOG.md b/CHANGELOG.md index b897eb625e..3198dcf46c 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -13,6 +13,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 control sampling in `farthest_point_sampling` - Flag for toggling parallel computation in `simulate_scenarios` - Additional transfer learning and synthetic benchmarks +- New recommender based on large language models: `LLMRecommender` ### Fixed - Using `PosteriorStandardDeviation` with `MIN` targets no longer results in diff --git a/baybe/exceptions.py b/baybe/exceptions.py index 2d7aa9a61e..80399d5241 100644 --- a/baybe/exceptions.py +++ b/baybe/exceptions.py @@ -160,3 +160,7 @@ class InvalidSurrogateModelError(Exception): class InvalidTargetValueError(Exception): """A target value was entered that is not in the target space.""" + + +class LLMResponseError(Exception): + """Raised when there is an error processing the LLM response.""" diff --git a/baybe/recommenders/__init__.py b/baybe/recommenders/__init__.py index 37d23dd8d9..7bc71e733c 100644 --- a/baybe/recommenders/__init__.py +++ b/baybe/recommenders/__init__.py @@ -10,6 +10,7 @@ from baybe.recommenders.pure.bayesian.sequential_greedy import ( SequentialGreedyRecommender, ) +from baybe.recommenders.pure.llm import LLMRecommender from baybe.recommenders.pure.nonpredictive.clustering import ( GaussianMixtureClusteringRecommender, KMeansClusteringRecommender, @@ -32,4 +33,5 @@ "SequentialGreedyRecommender", "SequentialMetaRecommender", "StreamingSequentialMetaRecommender", + "LLMRecommender", ] diff --git a/baybe/recommenders/pure/llm/__init__.py b/baybe/recommenders/pure/llm/__init__.py new file mode 100644 index 0000000000..fb6e13b07b --- /dev/null +++ b/baybe/recommenders/pure/llm/__init__.py @@ -0,0 +1,5 @@ +"""Recommender based on Large Language Models (LLMs).""" + +from baybe.recommenders.pure.llm.llm import LLMRecommender + +__all__ = ["LLMRecommender"] diff --git a/baybe/recommenders/pure/llm/llm.py b/baybe/recommenders/pure/llm/llm.py new file mode 100644 index 0000000000..0806598b93 --- /dev/null +++ b/baybe/recommenders/pure/llm/llm.py @@ -0,0 +1,515 @@ +"""LLM-based recommender for experimental design.""" + +import json +from collections.abc import Callable +from enum import Enum +from json import JSONDecodeError + +import pandas as pd +from attrs import define, field +from jinja2 import Template +from litellm import completion +from typing_extensions import override + +from baybe.exceptions import LLMResponseError +from baybe.objectives.base import Objective +from baybe.recommenders.base import RecommenderProtocol +from baybe.searchspace import SearchSpace +from baybe.utils.conversion import to_string + +PROMPT = Template( + """You are an expert experimental design assistant. Your task is to suggest new experimental conditions based on the following information: + +EXPERIMENT DESCRIPTION: +{{ experiment_description }} + +OPTIMIZATION OBJECTIVE: +{{ objective_description }} + +PARAMETERS: +{% for param in parameter_descriptions %} +Parameter: {{ param.name }} +Description: {{ param.description }} +Type: {{ param.type.value }} +{% if param.bounds is not none %} +{% if param.type.value == 'continuous' %} +Bounds: [{{ param.bounds[0] }}, {{ param.bounds[1] }}] +{% else %} +Allowed values: {{ param.bounds }} +{% endif %} +{% endif %} +{% if param.unit is not none %} +Unit: {{ param.unit }} +{% endif %} +{% if param.default_value is not none %} +Default value: {{ param.default_value }} +{% endif %} +{% if param.constraints is not none %} +Constraints: {{ param.constraints }} +{% endif %} + +{% endfor %} + +{% if measurements is not none and not measurements.empty %} +PREVIOUS MEASUREMENTS: +{{ measurements.to_string(index=False) }} +{% endif %} + +{% if related_data is not none and not related_data.empty %} +RELATED DATA: +Here is data from other optimization campaigns. +It might be useful to learn from these experiments or not. +Use it as you see fit. +{{ related_data.to_string(index=False) }} +{% endif %} + +Please suggest {{ batch_size }} new experimental conditions that are likely to improve the optimization objective. +For each suggestion, provide: +1. A brief explanation of why you chose these values +2. The values for each parameter + +{% if format_instructions is not none %} +{{ format_instructions }} +{% else %} +Format your response as a JSON array of objects with the following structure (no backticks): +[ + { + "explanation": "Brief explanation of the suggestion", + "parameters": { + "param1": value1, + "param2": value2, + ... + } + }, + ... +] +{% endif %} +""", # noqa: E501, W293 + trim_blocks=True, + lstrip_blocks=True, +) + +RECOVERY_PROMPT = Template( + """The previous response was malformed and could not be parsed as JSON. Please correct the response to match the required format. + +ERROR: {{ error }} + +ORIGINAL RESPONSE: +{{ original_response }} + +PARAMETERS: +{% for param in parameter_descriptions %} +Parameter: {{ param.name }} +Type: {{ param.type.value }} +{% if param.bounds is not none %} +{% if param.type.value == 'continuous' %} +Bounds: [{{ param.bounds[0] }}, {{ param.bounds[1] }}] +{% else %} +Allowed values: {{ param.bounds }} +{% endif %} +{% endif %} +{% endfor %} + +Please provide a corrected JSON response that follows the required format: +{% if format_instructions is not none %} +{{ format_instructions }} +{% else %} +[ + { + "explanation": "Brief explanation of the suggestion", + "parameters": { + "param1": value1, + "param2": value2, + ... + } + }, + ... +] +{% endif %}""", # noqa: E501, W293 + trim_blocks=True, + lstrip_blocks=True, +) + + +class ParameterType(Enum): + """Types of parameters that can be optimized.""" + + CONTINUOUS = "continuous" + """Continuous parameter with numeric bounds.""" + + DISCRETE_NUMERIC = "discrete_numeric" + """Discrete parameter with numeric values.""" + + DISCRETE_CATEGORICAL = "discrete_categorical" + """Discrete parameter with categorical values.""" + + BINARY = "binary" + """Binary parameter (True/False).""" + + +@define +class ParameterDescription: + """Description of a parameter for LLM-based optimization.""" + + name: str = field() + """Name of the parameter.""" + + description: str = field() + """Human-readable description of what the parameter represents.""" + + type: ParameterType = field() + """Type of the parameter.""" + + bounds: tuple[float, float] | list[float | str] | None = field(default=None) + """Bounds or allowed values for the parameter. + + For continuous parameters: tuple of (min, max) + For discrete parameters: list of allowed values + For binary parameters: None + """ + + unit: str | None = field(default=None) + """Unit of measurement for the parameter (e.g., '°C', 'bar', 'mol/L').""" + + default_value: float | str | bool | None = field(default=None) + """Default value for the parameter if known.""" + + constraints: str | None = field(default=None) + """Additional constraints or considerations for this parameter.""" + + def __str__(self) -> str: + """Return a string representation of the parameter description.""" + parts = [ + f"Name: {self.name}", + f"Description: {self.description}", + f"Type: {self.type.value}", + ] + + if self.bounds is not None: + if isinstance(self.bounds, tuple): + parts.append(f"Bounds: [{self.bounds[0]}, {self.bounds[1]}]") + else: + parts.append(f"Allowed values: {self.bounds}") + + if self.unit is not None: + parts.append(f"Unit: {self.unit}") + + if self.default_value is not None: + parts.append(f"Default: {self.default_value}") + + if self.constraints is not None: + parts.append(f"Constraints: {self.constraints}") + + return "\n".join(parts) + + +@define +class LLMRecommender(RecommenderProtocol): + """Recommender that uses a language model to suggest new experimental points.""" + + # Object variables + model: str = field() + """The LiteLLM model to use for recommendations.""" + + experiment_description: str = field() + """Textual description of the experiment.""" + + objective_description: str = field() + """Textual description of the optimization objective.""" + + parameter_descriptions: list[ParameterDescription] = field(factory=list) + """List of parameter descriptions.""" + + format_instructions: str | None = field(default=None) + """Optional custom instructions for formatting the LLM's response.""" + + recovery_model: str | None = field(default=None) + """Optional model to use for recovery attempts. + + If None, uses the same model as the main recommendations. + """ + + litellm_args: dict = field(factory=dict) + """Additional arguments to pass to LiteLLM.""" + + recovery_litellm_args: dict | None = field(default=None) + """Optional arguments to pass to LiteLLM during recovery attempts. + + If None, uses the same arguments as the main recommendations. + If provided, these arguments will override the main litellm_args + for recovery attempts. + """ + + related_data: pd.DataFrame | None = field(default=None) + """Optional DataFrame containing data from similar optimization campaigns. + + This data can be used to inform the recommendations by learning from + similar experiments. The DataFrame should have the same parameter columns + as the current experiment. + """ + + is_feasible_experiment: Callable[[pd.Series], bool] | None = field(default=None) + """Optional function to check if an experiment is feasible. + + If provided, this function will be used to filter out infeasible experiments. + The function should take a pandas Series (representing a single experiment) + and return a boolean indicating whether the experiment is feasible. + """ + + overflow_experiments: int = field(default=0) + """Number of additional experiments to request from the LLM. + + The LLM will be asked to generate batch_size + overflow_experiments + experiments. After filtering for feasibility, the first batch_size + feasible experiments will be returned. + """ + + def _construct_prompt( + self, + searchspace: SearchSpace, + batch_size: int, + measurements: pd.DataFrame | None = None, + ) -> str: + """Construct the prompt for the language model. + + Args: + searchspace: The search space to generate recommendations for. + batch_size: The number of recommendations to generate. + measurements: Optional measurements to include in the prompt. + + Returns: + The constructed prompt. + """ + total_experiments = batch_size + self.overflow_experiments + return PROMPT.render( + experiment_description=self.experiment_description, + objective_description=self.objective_description, + parameter_descriptions=self.parameter_descriptions, + measurements=measurements, + related_data=self.related_data, + batch_size=total_experiments, + format_instructions=self.format_instructions, + ) + + def _attempt_recovery( + self, + error: Exception, + original_response: str, + searchspace: SearchSpace, + ) -> pd.DataFrame: + """Attempt to recover from a malformed LLM response by asking for correction. + + Args: + error: The error that occurred during parsing. + original_response: The original malformed response. + searchspace: The search space to validate recommendations against. + + Returns: + A DataFrame containing the corrected recommendations. + + Raises: + LLMResponseError: If recovery fails. + """ + recovery_prompt = RECOVERY_PROMPT.render( + error=str(error), + original_response=original_response, + parameter_descriptions=self.parameter_descriptions, + format_instructions=self.format_instructions, + ) + + try: + # Use recovery-specific args if provided, otherwise fall back to main args + litellm_args = self.recovery_litellm_args or self.litellm_args + response = completion( + model=self.recovery_model or self.model, + messages=[{"role": "user", "content": recovery_prompt}], + **litellm_args, + ) + return self._parse_llm_response( + response.choices[0].message.content, searchspace + ) + except Exception as e: + raise LLMResponseError( + f"Failed to recover from malformed response: {str(e)}" + ) from e + + def _parse_llm_response( + self, response: str, searchspace: SearchSpace + ) -> pd.DataFrame: + """Parse the LLM response into a DataFrame of recommendations. + + Args: + response: The response from the language model. + searchspace: The search space to validate recommendations against. + + Returns: + A DataFrame containing the parsed recommendations. + + Raises: + LLMResponseError: If the response cannot be parsed or + contains invalid values. + """ + # Parse the JSON response + try: + suggestions = json.loads(response) + except JSONDecodeError as e: + raise LLMResponseError(f"Error parsing JSON output: {e}") + if not isinstance(suggestions, list): + raise LLMResponseError("Response must be a JSON array") + + # Extract parameter values from each suggestion + recommendations = [] + for suggestion in suggestions: + if not isinstance(suggestion, dict): + raise LLMResponseError("Each suggestion must be a JSON object") + + if "parameters" not in suggestion: + raise LLMResponseError( + "Each suggestion must contain a 'parameters' field" + ) + + if "explanation" not in suggestion: + raise LLMResponseError( + "Each suggestion must contain an 'explanation' field" + ) + + # Extract parameter values + params = suggestion["parameters"] + if not isinstance(params, dict): + raise LLMResponseError("Parameters must be a JSON object") + + # Validate parameter names + param_names = {p.name for p in self.parameter_descriptions} + if not all(name in param_names for name in params.keys()): + raise LLMResponseError("Response contains unknown parameter names") + + # Add to recommendations + recommendations.append(params) + + # Convert to DataFrame + df = pd.DataFrame(recommendations) + + # Validate against search space + for param in self.parameter_descriptions: + if param.name not in df.columns: + raise LLMResponseError(f"Missing parameter: {param.name}") + + values = df[param.name] + + # Validate based on parameter type + if param.type == ParameterType.CONTINUOUS: + if not all(isinstance(v, (int, float)) for v in values): + raise LLMResponseError( + f"Non-numeric values for continuous parameter: {param.name}" + ) + if param.bounds is not None: + min_val, max_val = param.bounds + if not all(min_val <= v <= max_val for v in values): + raise LLMResponseError( + f"Values for {param.name} outside bounds " + f"[{min_val}, {max_val}]" + ) + + elif param.type == ParameterType.DISCRETE_NUMERIC: + if not all(isinstance(v, (int, float)) for v in values): + raise LLMResponseError( + f"Non-numeric values for discrete numeric parameter:" + f" {param.name}" + ) + if param.bounds is not None: + if not all(v in param.bounds for v in values): + raise LLMResponseError( + f"Invalid values for discrete parameter: {param.name}" + ) + + elif param.type == ParameterType.DISCRETE_CATEGORICAL: + if param.bounds is not None: + if not all(v in param.bounds for v in values): + raise LLMResponseError( + f"Invalid values for categorical parameter: {param.name}" + ) + + elif param.type == ParameterType.BINARY: + if not all(isinstance(v, bool) for v in values): + raise LLMResponseError( + f"Non-boolean values for binary parameter: {param.name}" + ) + + return df + + @override + def recommend( + self, + batch_size: int, + searchspace: SearchSpace, + objective: Objective | None = None, + measurements: pd.DataFrame | None = None, + pending_experiments: pd.DataFrame | None = None, + ) -> pd.DataFrame: + """Generate recommendations using the language model. + + Args: + batch_size: The number of recommendations to generate. + searchspace: The search space to generate recommendations for. + objective: Optional objective to optimize for. + measurements: Optional measurements to include in the prompt. + pending_experiments: Optional pending experiments to consider. + + Returns: + A DataFrame containing the recommendations as individual rows. + """ + prompt = self._construct_prompt(searchspace, batch_size, measurements) + response = completion( + model=self.model, + messages=[{"role": "user", "content": prompt}], + **self.litellm_args, + ) + try: + output = self._parse_llm_response( + response.choices[0].message.content, searchspace + ) + except LLMResponseError as e: + # Attempt to recover from malformed response + output = self._attempt_recovery( + e, response.choices[0].message.content, searchspace + ) + + # Filter for feasibility if the function is provided + if self.is_feasible_experiment is not None: + # Apply feasibility check to each row + feasible_mask = output.apply(self.is_feasible_experiment, axis=1) + feasible_experiments = output[feasible_mask] + + # Take only the first batch_size feasible experiments + if len(feasible_experiments) >= batch_size: + return feasible_experiments.head(batch_size) + else: + # If we don't have enough feasible experiments, return what we have + return feasible_experiments + + return output + + def __str__(self) -> str: + fields = [ + to_string("Model", self.model, single_line=True), + to_string("LiteLLM Args", self.litellm_args, single_line=True), + to_string( + "Experiment Description", self.experiment_description, single_line=True + ), + to_string( + "Optimization Objectives", self.objective_description, single_line=True + ), + to_string( + "Parameter Descriptions", self.parameter_descriptions, single_line=True + ), + to_string("Related Data", self.related_data, single_line=True), + to_string( + "Overflow Experiments", self.overflow_experiments, single_line=True + ), + to_string( + "Feasibility Check", + "Enabled" if self.is_feasible_experiment is not None else "Disabled", + single_line=True, + ), + ] + return to_string(self.__class__.__name__, *fields) diff --git a/benchmarks/data/direct_arylation/data.csv b/benchmarks/data/direct_arylation/data.csv index f6cd676960..3ea7ebcced 100644 --- a/benchmarks/data/direct_arylation/data.csv +++ b/benchmarks/data/direct_arylation/data.csv @@ -23,30 +23,30 @@ 21,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.1,105,8.85,Cesium pivalate,Tricyclohexylphosphine,DMAc 22,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.1,105,52.05,Cesium pivalate,PPh3,DMAc 23,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.1,105,29.16,Cesium pivalate,XPhos,DMAc -24,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,18.44,Potassium acetate,BrettPhos,Butyornitrile -25,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -26,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,6.17,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -27,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -28,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,6.24,Potassium acetate,PPh3,Butyornitrile -29,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,47.3,Potassium acetate,XPhos,Butyornitrile -30,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,56.05,Potassium pivalate,BrettPhos,Butyornitrile -31,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -32,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,6.39,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -33,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.35,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -34,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,4.28,Potassium pivalate,PPh3,Butyornitrile -35,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,56.14,Potassium pivalate,XPhos,Butyornitrile -36,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,64.48,Cesium acetate,BrettPhos,Butyornitrile -37,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -38,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,5.88,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -39,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.57,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -40,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,3.21,Cesium acetate,PPh3,Butyornitrile -41,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,83.83,Cesium acetate,XPhos,Butyornitrile -42,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,55.41,Cesium pivalate,BrettPhos,Butyornitrile -43,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -44,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,5.41,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -45,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.33,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -46,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,3.44,Cesium pivalate,PPh3,Butyornitrile -47,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,68.53,Cesium pivalate,XPhos,Butyornitrile +24,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,18.44,Potassium acetate,BrettPhos,Butyronitrile +25,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +26,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,6.17,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +27,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +28,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,6.24,Potassium acetate,PPh3,Butyronitrile +29,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,47.3,Potassium acetate,XPhos,Butyronitrile +30,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,56.05,Potassium pivalate,BrettPhos,Butyronitrile +31,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +32,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,6.39,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +33,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.35,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +34,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,4.28,Potassium pivalate,PPh3,Butyronitrile +35,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,56.14,Potassium pivalate,XPhos,Butyronitrile +36,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,64.48,Cesium acetate,BrettPhos,Butyronitrile +37,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +38,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,5.88,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +39,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.57,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +40,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,3.21,Cesium acetate,PPh3,Butyronitrile +41,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,83.83,Cesium acetate,XPhos,Butyronitrile +42,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,105,55.41,Cesium pivalate,BrettPhos,Butyronitrile +43,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +44,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,105,5.41,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +45,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,105,0.33,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +46,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,105,3.44,Cesium pivalate,PPh3,Butyronitrile +47,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,105,68.53,Cesium pivalate,XPhos,Butyronitrile 48,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.1,105,17.09,Potassium acetate,BrettPhos,Butyl Ester 49,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.1,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 50,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.1,105,0,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -119,30 +119,30 @@ 117,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.1,90,3.69,Cesium pivalate,Tricyclohexylphosphine,DMAc 118,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.1,90,33.59,Cesium pivalate,PPh3,DMAc 119,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.1,90,22.94,Cesium pivalate,XPhos,DMAc -120,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,9.66,Potassium acetate,BrettPhos,Butyornitrile -121,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -122,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,4.61,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -123,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -124,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,2.83,Potassium acetate,PPh3,Butyornitrile -125,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,26.5,Potassium acetate,XPhos,Butyornitrile -126,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,39.5,Potassium pivalate,BrettPhos,Butyornitrile -127,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0.95,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -128,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,6.69,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -129,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -130,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,2.48,Potassium pivalate,PPh3,Butyornitrile -131,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,45.95,Potassium pivalate,XPhos,Butyornitrile -132,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,48.21,Cesium acetate,BrettPhos,Butyornitrile -133,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -134,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,6.27,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -135,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -136,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,5.8,Cesium acetate,PPh3,Butyornitrile -137,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,86.37,Cesium acetate,XPhos,Butyornitrile -138,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,48.64,Cesium pivalate,BrettPhos,Butyornitrile -139,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -140,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,5.29,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -141,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -142,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,1.9,Cesium pivalate,PPh3,Butyornitrile -143,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,69.11,Cesium pivalate,XPhos,Butyornitrile +120,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,9.66,Potassium acetate,BrettPhos,Butyronitrile +121,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +122,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,4.61,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +123,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +124,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,2.83,Potassium acetate,PPh3,Butyronitrile +125,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,26.5,Potassium acetate,XPhos,Butyronitrile +126,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,39.5,Potassium pivalate,BrettPhos,Butyronitrile +127,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0.95,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +128,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,6.69,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +129,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +130,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,2.48,Potassium pivalate,PPh3,Butyronitrile +131,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,45.95,Potassium pivalate,XPhos,Butyronitrile +132,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,48.21,Cesium acetate,BrettPhos,Butyronitrile +133,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +134,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,6.27,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +135,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +136,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,5.8,Cesium acetate,PPh3,Butyronitrile +137,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,86.37,Cesium acetate,XPhos,Butyronitrile +138,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,90,48.64,Cesium pivalate,BrettPhos,Butyronitrile +139,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +140,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,90,5.29,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +141,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,90,0,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +142,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,90,1.9,Cesium pivalate,PPh3,Butyronitrile +143,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,90,69.11,Cesium pivalate,XPhos,Butyronitrile 144,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.1,90,20.73,Potassium acetate,BrettPhos,Butyl Ester 145,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.1,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 146,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.1,90,0,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -215,30 +215,30 @@ 213,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.1,120,27.93,Cesium pivalate,Tricyclohexylphosphine,DMAc 214,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.1,120,76.33,Cesium pivalate,PPh3,DMAc 215,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.1,120,48.15,Cesium pivalate,XPhos,DMAc -216,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,29.25,Potassium acetate,BrettPhos,Butyornitrile -217,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -218,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,8.4,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -219,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,1.96,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -220,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,12.65,Potassium acetate,PPh3,Butyornitrile -221,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,56.57,Potassium acetate,XPhos,Butyornitrile -222,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,50.79,Potassium pivalate,BrettPhos,Butyornitrile -223,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -224,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,6.44,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -225,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.28,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -226,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,9.59,Potassium pivalate,PPh3,Butyornitrile -227,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,50.93,Potassium pivalate,XPhos,Butyornitrile -228,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,69.13,Cesium acetate,BrettPhos,Butyornitrile -229,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -230,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,7.69,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -231,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.8,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -232,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,13.09,Cesium acetate,PPh3,Butyornitrile -233,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,84.17,Cesium acetate,XPhos,Butyornitrile -234,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,46.53,Cesium pivalate,BrettPhos,Butyornitrile -235,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -236,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,5.3,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -237,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.1,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -238,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,7.36,Cesium pivalate,PPh3,Butyornitrile -239,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,59.81,Cesium pivalate,XPhos,Butyornitrile +216,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,29.25,Potassium acetate,BrettPhos,Butyronitrile +217,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +218,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,8.4,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +219,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,1.96,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +220,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,12.65,Potassium acetate,PPh3,Butyronitrile +221,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,56.57,Potassium acetate,XPhos,Butyronitrile +222,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,50.79,Potassium pivalate,BrettPhos,Butyronitrile +223,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +224,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,6.44,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +225,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.28,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +226,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,9.59,Potassium pivalate,PPh3,Butyronitrile +227,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,50.93,Potassium pivalate,XPhos,Butyronitrile +228,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,69.13,Cesium acetate,BrettPhos,Butyronitrile +229,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +230,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,7.69,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +231,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.8,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +232,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,13.09,Cesium acetate,PPh3,Butyronitrile +233,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,84.17,Cesium acetate,XPhos,Butyronitrile +234,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.1,120,46.53,Cesium pivalate,BrettPhos,Butyronitrile +235,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.1,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +236,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.1,120,5.3,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +237,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.1,120,3.1,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +238,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.1,120,7.36,Cesium pivalate,PPh3,Butyronitrile +239,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.1,120,59.81,Cesium pivalate,XPhos,Butyronitrile 240,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.1,120,25.86,Potassium acetate,BrettPhos,Butyl Ester 241,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.1,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 242,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.1,120,0,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -311,30 +311,30 @@ 309,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.057,90,6.38,Cesium pivalate,Tricyclohexylphosphine,DMAc 310,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.057,90,44.96,Cesium pivalate,PPh3,DMAc 311,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.057,90,23.71,Cesium pivalate,XPhos,DMAc -312,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,6.26,Potassium acetate,BrettPhos,Butyornitrile -313,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -314,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,5.62,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -315,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -316,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,4.3,Potassium acetate,PPh3,Butyornitrile -317,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,18.72,Potassium acetate,XPhos,Butyornitrile -318,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,29.57,Potassium pivalate,BrettPhos,Butyornitrile -319,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -320,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,5.62,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -321,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.14,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -322,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,5.92,Potassium pivalate,PPh3,Butyornitrile -323,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,30.83,Potassium pivalate,XPhos,Butyornitrile -324,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,36.72,Cesium acetate,BrettPhos,Butyornitrile -325,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -326,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,6.57,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -327,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.28,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -328,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,6.56,Cesium acetate,PPh3,Butyornitrile -329,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,72.9,Cesium acetate,XPhos,Butyornitrile -330,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,37.58,Cesium pivalate,BrettPhos,Butyornitrile -331,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -332,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,4.89,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -333,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.86,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -334,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,5.19,Cesium pivalate,PPh3,Butyornitrile -335,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,40.02,Cesium pivalate,XPhos,Butyornitrile +312,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,6.26,Potassium acetate,BrettPhos,Butyronitrile +313,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +314,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,5.62,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +315,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +316,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,4.3,Potassium acetate,PPh3,Butyronitrile +317,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,18.72,Potassium acetate,XPhos,Butyronitrile +318,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,29.57,Potassium pivalate,BrettPhos,Butyronitrile +319,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +320,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,5.62,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +321,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.14,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +322,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,5.92,Potassium pivalate,PPh3,Butyronitrile +323,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,30.83,Potassium pivalate,XPhos,Butyronitrile +324,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,36.72,Cesium acetate,BrettPhos,Butyronitrile +325,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +326,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,6.57,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +327,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.28,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +328,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,6.56,Cesium acetate,PPh3,Butyronitrile +329,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,72.9,Cesium acetate,XPhos,Butyronitrile +330,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,90,37.58,Cesium pivalate,BrettPhos,Butyronitrile +331,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +332,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,90,4.89,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +333,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,90,0.86,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +334,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,90,5.19,Cesium pivalate,PPh3,Butyronitrile +335,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,90,40.02,Cesium pivalate,XPhos,Butyronitrile 336,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.057,90,17.54,Potassium acetate,BrettPhos,Butyl Ester 337,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.057,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 338,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.057,90,2.72,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -407,30 +407,30 @@ 405,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.057,105,11.52,Cesium pivalate,Tricyclohexylphosphine,DMAc 406,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.057,105,59.68,Cesium pivalate,PPh3,DMAc 407,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.057,105,30.21,Cesium pivalate,XPhos,DMAc -408,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,6,Potassium acetate,BrettPhos,Butyornitrile -409,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -410,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,6.57,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -411,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -412,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.77,Potassium acetate,PPh3,Butyornitrile -413,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,12.54,Potassium acetate,XPhos,Butyornitrile -414,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,29.14,Potassium pivalate,BrettPhos,Butyornitrile -415,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -416,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.77,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -417,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,0.85,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -418,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.78,Potassium pivalate,PPh3,Butyornitrile -419,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,31.13,Potassium pivalate,XPhos,Butyornitrile -420,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,45.11,Cesium acetate,BrettPhos,Butyornitrile -421,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -422,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.6,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -423,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,1.13,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -424,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,9.16,Cesium acetate,PPh3,Butyornitrile -425,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,72.89,Cesium acetate,XPhos,Butyornitrile -426,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,39.86,Cesium pivalate,BrettPhos,Butyornitrile -427,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -428,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.06,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -429,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,1.95,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -430,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.51,Cesium pivalate,PPh3,Butyornitrile -431,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,36.65,Cesium pivalate,XPhos,Butyornitrile +408,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,6,Potassium acetate,BrettPhos,Butyronitrile +409,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +410,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,6.57,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +411,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +412,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.77,Potassium acetate,PPh3,Butyronitrile +413,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,12.54,Potassium acetate,XPhos,Butyronitrile +414,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,29.14,Potassium pivalate,BrettPhos,Butyronitrile +415,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +416,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.77,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +417,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,0.85,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +418,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.78,Potassium pivalate,PPh3,Butyronitrile +419,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,31.13,Potassium pivalate,XPhos,Butyronitrile +420,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,45.11,Cesium acetate,BrettPhos,Butyronitrile +421,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +422,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.6,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +423,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,1.13,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +424,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,9.16,Cesium acetate,PPh3,Butyronitrile +425,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,72.89,Cesium acetate,XPhos,Butyronitrile +426,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,105,39.86,Cesium pivalate,BrettPhos,Butyronitrile +427,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +428,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,105,5.06,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +429,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,105,1.95,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +430,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,105,6.51,Cesium pivalate,PPh3,Butyronitrile +431,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,105,36.65,Cesium pivalate,XPhos,Butyronitrile 432,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.057,105,16.39,Potassium acetate,BrettPhos,Butyl Ester 433,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.057,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 434,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.057,105,2.85,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -503,30 +503,30 @@ 501,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.057,120,26.22,Cesium pivalate,Tricyclohexylphosphine,DMAc 502,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.057,120,84.64,Cesium pivalate,PPh3,DMAc 503,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.057,120,38.48,Cesium pivalate,XPhos,DMAc -504,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,17,Potassium acetate,BrettPhos,Butyornitrile -505,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -506,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,8.52,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -507,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,0.89,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -508,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,11.5,Potassium acetate,PPh3,Butyornitrile -509,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,43.22,Potassium acetate,XPhos,Butyornitrile -510,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,50.55,Potassium pivalate,BrettPhos,Butyornitrile -511,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -512,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,6.2,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -513,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,3.25,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -514,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,12.19,Potassium pivalate,PPh3,Butyornitrile -515,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,27.8,Potassium pivalate,XPhos,Butyornitrile -516,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,54.26,Cesium acetate,BrettPhos,Butyornitrile -517,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -518,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,7.42,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -519,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,3.04,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -520,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,11.19,Cesium acetate,PPh3,Butyornitrile -521,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,72.21,Cesium acetate,XPhos,Butyornitrile -522,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,42.63,Cesium pivalate,BrettPhos,Butyornitrile -523,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -524,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,5.24,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -525,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,4.78,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -526,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,9.46,Cesium pivalate,PPh3,Butyornitrile -527,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,31.51,Cesium pivalate,XPhos,Butyornitrile +504,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,17,Potassium acetate,BrettPhos,Butyronitrile +505,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +506,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,8.52,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +507,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,0.89,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +508,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,11.5,Potassium acetate,PPh3,Butyronitrile +509,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,43.22,Potassium acetate,XPhos,Butyronitrile +510,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,50.55,Potassium pivalate,BrettPhos,Butyronitrile +511,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +512,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,6.2,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +513,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,3.25,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +514,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,12.19,Potassium pivalate,PPh3,Butyronitrile +515,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,27.8,Potassium pivalate,XPhos,Butyronitrile +516,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,54.26,Cesium acetate,BrettPhos,Butyronitrile +517,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +518,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,7.42,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +519,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,3.04,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +520,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,11.19,Cesium acetate,PPh3,Butyronitrile +521,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,72.21,Cesium acetate,XPhos,Butyronitrile +522,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.057,120,42.63,Cesium pivalate,BrettPhos,Butyronitrile +523,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.057,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +524,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.057,120,5.24,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +525,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.057,120,4.78,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +526,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.057,120,9.46,Cesium pivalate,PPh3,Butyronitrile +527,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.057,120,31.51,Cesium pivalate,XPhos,Butyronitrile 528,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.057,120,27.16,Potassium acetate,BrettPhos,Butyl Ester 529,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.057,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 530,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.057,120,6.22,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -599,30 +599,30 @@ 597,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.153,90,2.53,Cesium pivalate,Tricyclohexylphosphine,DMAc 598,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.153,90,28.53,Cesium pivalate,PPh3,DMAc 599,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.153,90,27.79,Cesium pivalate,XPhos,DMAc -600,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,12.07,Potassium acetate,BrettPhos,Butyornitrile -601,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -602,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,4.97,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -603,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -604,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,2.66,Potassium acetate,PPh3,Butyornitrile -605,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,32.5,Potassium acetate,XPhos,Butyornitrile -606,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,13.31,Potassium pivalate,BrettPhos,Butyornitrile -607,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -608,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,5.65,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -609,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -610,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,0.85,Potassium pivalate,PPh3,Butyornitrile -611,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,33.95,Potassium pivalate,XPhos,Butyornitrile -612,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,28.02,Cesium acetate,BrettPhos,Butyornitrile -613,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -614,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,0,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -615,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -616,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,0,Cesium acetate,PPh3,Butyornitrile -617,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,0,Cesium acetate,XPhos,Butyornitrile -618,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,54.55,Cesium pivalate,BrettPhos,Butyornitrile -619,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -620,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,8.95,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -621,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -622,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,2.53,Cesium pivalate,PPh3,Butyornitrile -623,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,75.4,Cesium pivalate,XPhos,Butyornitrile +600,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,12.07,Potassium acetate,BrettPhos,Butyronitrile +601,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +602,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,4.97,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +603,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +604,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,2.66,Potassium acetate,PPh3,Butyronitrile +605,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,32.5,Potassium acetate,XPhos,Butyronitrile +606,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,13.31,Potassium pivalate,BrettPhos,Butyronitrile +607,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +608,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,5.65,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +609,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +610,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,0.85,Potassium pivalate,PPh3,Butyronitrile +611,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,33.95,Potassium pivalate,XPhos,Butyronitrile +612,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,28.02,Cesium acetate,BrettPhos,Butyronitrile +613,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +614,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,0,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +615,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +616,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,0,Cesium acetate,PPh3,Butyronitrile +617,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,0,Cesium acetate,XPhos,Butyronitrile +618,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,90,54.55,Cesium pivalate,BrettPhos,Butyronitrile +619,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,90,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +620,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,90,8.95,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +621,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,90,0,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +622,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,90,2.53,Cesium pivalate,PPh3,Butyronitrile +623,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,90,75.4,Cesium pivalate,XPhos,Butyronitrile 624,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.153,90,15.36,Potassium acetate,BrettPhos,Butyl Ester 625,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.153,90,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 626,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.153,90,3.68,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -695,30 +695,30 @@ 693,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.153,105,9.07,Cesium pivalate,Tricyclohexylphosphine,DMAc 694,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.153,105,45.28,Cesium pivalate,PPh3,DMAc 695,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.153,105,40.06,Cesium pivalate,XPhos,DMAc -696,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,22.3,Potassium acetate,BrettPhos,Butyornitrile -697,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -698,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,6.88,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -699,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,0,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -700,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,6.67,Potassium acetate,PPh3,Butyornitrile -701,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,75.39,Potassium acetate,XPhos,Butyornitrile -702,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,58.95,Potassium pivalate,BrettPhos,Butyornitrile -703,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -704,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,10.05,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -705,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,1.37,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -706,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,7.88,Potassium pivalate,PPh3,Butyornitrile -707,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,73.33,Potassium pivalate,XPhos,Butyornitrile -708,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,73.08,Cesium acetate,BrettPhos,Butyornitrile -709,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -710,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,6.4,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -711,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,2.15,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -712,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,5.55,Cesium acetate,PPh3,Butyornitrile -713,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,84.62,Cesium acetate,XPhos,Butyornitrile -714,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,56.5,Cesium pivalate,BrettPhos,Butyornitrile -715,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -716,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,8.84,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -717,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,2.01,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -718,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,4.1,Cesium pivalate,PPh3,Butyornitrile -719,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,79.76,Cesium pivalate,XPhos,Butyornitrile +696,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,22.3,Potassium acetate,BrettPhos,Butyronitrile +697,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +698,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,6.88,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +699,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,0,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +700,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,6.67,Potassium acetate,PPh3,Butyronitrile +701,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,75.39,Potassium acetate,XPhos,Butyronitrile +702,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,58.95,Potassium pivalate,BrettPhos,Butyronitrile +703,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +704,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,10.05,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +705,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,1.37,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +706,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,7.88,Potassium pivalate,PPh3,Butyronitrile +707,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,73.33,Potassium pivalate,XPhos,Butyronitrile +708,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,73.08,Cesium acetate,BrettPhos,Butyronitrile +709,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +710,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,6.4,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +711,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,2.15,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +712,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,5.55,Cesium acetate,PPh3,Butyronitrile +713,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,84.62,Cesium acetate,XPhos,Butyronitrile +714,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,105,56.5,Cesium pivalate,BrettPhos,Butyronitrile +715,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,105,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +716,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,105,8.84,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +717,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,105,2.01,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +718,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,105,4.1,Cesium pivalate,PPh3,Butyronitrile +719,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,105,79.76,Cesium pivalate,XPhos,Butyronitrile 720,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.153,105,17.26,Potassium acetate,BrettPhos,Butyl Ester 721,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.153,105,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 722,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.153,105,0,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -791,30 +791,30 @@ 789,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CC(N(C)C)=O,0.153,120,13.88,Cesium pivalate,Tricyclohexylphosphine,DMAc 790,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CC(N(C)C)=O,0.153,120,58.4,Cesium pivalate,PPh3,DMAc 791,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CC(N(C)C)=O,0.153,120,48.34,Cesium pivalate,XPhos,DMAc -792,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,25.77,Potassium acetate,BrettPhos,Butyornitrile -793,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyornitrile -794,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,7.65,Potassium acetate,(t-Bu)PhCPhos,Butyornitrile -795,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,0.74,Potassium acetate,Tricyclohexylphosphine,Butyornitrile -796,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,12.34,Potassium acetate,PPh3,Butyornitrile -797,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,78.6,Potassium acetate,XPhos,Butyornitrile -798,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,58.48,Potassium pivalate,BrettPhos,Butyornitrile -799,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -800,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,9.61,Potassium pivalate,(t-Bu)PhCPhos,Butyornitrile -801,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,2.77,Potassium pivalate,Tricyclohexylphosphine,Butyornitrile -802,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,15.64,Potassium pivalate,PPh3,Butyornitrile -803,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,71.43,Potassium pivalate,XPhos,Butyornitrile -804,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,69.03,Cesium acetate,BrettPhos,Butyornitrile -805,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyornitrile -806,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,8.82,Cesium acetate,(t-Bu)PhCPhos,Butyornitrile -807,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,1.89,Cesium acetate,Tricyclohexylphosphine,Butyornitrile -808,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,19.64,Cesium acetate,PPh3,Butyornitrile -809,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,77.01,Cesium acetate,XPhos,Butyornitrile -810,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,53.81,Cesium pivalate,BrettPhos,Butyornitrile -811,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyornitrile -812,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,7.54,Cesium pivalate,(t-Bu)PhCPhos,Butyornitrile -813,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,3.33,Cesium pivalate,Tricyclohexylphosphine,Butyornitrile -814,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,6.1,Cesium pivalate,PPh3,Butyornitrile -815,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,78.44,Cesium pivalate,XPhos,Butyornitrile +792,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,25.77,Potassium acetate,BrettPhos,Butyronitrile +793,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyronitrile +794,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,7.65,Potassium acetate,(t-Bu)PhCPhos,Butyronitrile +795,O=C([O-])C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,0.74,Potassium acetate,Tricyclohexylphosphine,Butyronitrile +796,O=C([O-])C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,12.34,Potassium acetate,PPh3,Butyronitrile +797,O=C([O-])C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,78.6,Potassium acetate,XPhos,Butyronitrile +798,O=C([O-])C(C)(C)C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,58.48,Potassium pivalate,BrettPhos,Butyronitrile +799,O=C([O-])C(C)(C)C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Potassium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +800,O=C([O-])C(C)(C)C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,9.61,Potassium pivalate,(t-Bu)PhCPhos,Butyronitrile +801,O=C([O-])C(C)(C)C.[K+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,2.77,Potassium pivalate,Tricyclohexylphosphine,Butyronitrile +802,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,15.64,Potassium pivalate,PPh3,Butyronitrile +803,O=C([O-])C(C)(C)C.[K+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,71.43,Potassium pivalate,XPhos,Butyronitrile +804,O=C([O-])C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,69.03,Cesium acetate,BrettPhos,Butyronitrile +805,O=C([O-])C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Cesium acetate,Di-tert-butylphenylphosphine,Butyronitrile +806,O=C([O-])C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,8.82,Cesium acetate,(t-Bu)PhCPhos,Butyronitrile +807,O=C([O-])C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,1.89,Cesium acetate,Tricyclohexylphosphine,Butyronitrile +808,O=C([O-])C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,19.64,Cesium acetate,PPh3,Butyronitrile +809,O=C([O-])C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,77.01,Cesium acetate,XPhos,Butyronitrile +810,O=C([O-])C(C)(C)C.[Cs+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCC#N,0.153,120,53.81,Cesium pivalate,BrettPhos,Butyronitrile +811,O=C([O-])C(C)(C)C.[Cs+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCC#N,0.153,120,0,Cesium pivalate,Di-tert-butylphenylphosphine,Butyronitrile +812,O=C([O-])C(C)(C)C.[Cs+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCC#N,0.153,120,7.54,Cesium pivalate,(t-Bu)PhCPhos,Butyronitrile +813,O=C([O-])C(C)(C)C.[Cs+],P(C1CCCCC1)(C2CCCCC2)C3CCCCC3,CCCC#N,0.153,120,3.33,Cesium pivalate,Tricyclohexylphosphine,Butyronitrile +814,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,CCCC#N,0.153,120,6.1,Cesium pivalate,PPh3,Butyronitrile +815,O=C([O-])C(C)(C)C.[Cs+],CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C,CCCC#N,0.153,120,78.44,Cesium pivalate,XPhos,Butyronitrile 816,O=C([O-])C.[K+],CC(C)C1=CC(C(C)C)=C(C(C(C)C)=C1)C2=C(P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C2OC,CCCCOC(C)=O,0.153,120,18.26,Potassium acetate,BrettPhos,Butyl Ester 817,O=C([O-])C.[K+],CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,CCCCOC(C)=O,0.153,120,0,Potassium acetate,Di-tert-butylphenylphosphine,Butyl Ester 818,O=C([O-])C.[K+],CN(C)C1=CC=CC(N(C)C)=C1C2=CC=CC=C2P(C(C)(C)C)C3=CC=CC=C3,CCCCOC(C)=O,0.153,120,0,Potassium acetate,(t-Bu)PhCPhos,Butyl Ester @@ -887,30 +887,30 @@ 885,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.1,90,1.26,Cesium pivalate,JackiePhos,DMAc 886,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.1,90,75.28,Cesium pivalate,SCHEMBL15068049,DMAc 887,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.1,90,0,Cesium pivalate,Me2PPh,DMAc -888,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,2.55,Potassium acetate,P(2-furyl)3,Butyornitrile -889,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -890,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,3.89,Potassium acetate,1268824-69-6,Butyornitrile -891,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,19.97,Potassium acetate,JackiePhos,Butyornitrile -892,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,16.04,Potassium acetate,SCHEMBL15068049,Butyornitrile -893,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Potassium acetate,Me2PPh,Butyornitrile -894,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,26.88,Potassium pivalate,P(2-furyl)3,Butyornitrile -895,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -896,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,0,Potassium pivalate,1268824-69-6,Butyornitrile -897,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,0,Potassium pivalate,JackiePhos,Butyornitrile -898,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,57.18,Potassium pivalate,SCHEMBL15068049,Butyornitrile -899,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Potassium pivalate,Me2PPh,Butyornitrile -900,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,26.28,Cesium acetate,P(2-furyl)3,Butyornitrile -901,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -902,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,18.59,Cesium acetate,1268824-69-6,Butyornitrile -903,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,32.14,Cesium acetate,JackiePhos,Butyornitrile -904,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,57.95,Cesium acetate,SCHEMBL15068049,Butyornitrile -905,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Cesium acetate,Me2PPh,Butyornitrile -906,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,31.38,Cesium pivalate,P(2-furyl)3,Butyornitrile -907,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -908,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,24.25,Cesium pivalate,1268824-69-6,Butyornitrile -909,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,13.01,Cesium pivalate,JackiePhos,Butyornitrile -910,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,37.4,Cesium pivalate,SCHEMBL15068049,Butyornitrile -911,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Cesium pivalate,Me2PPh,Butyornitrile +888,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,2.55,Potassium acetate,P(2-furyl)3,Butyronitrile +889,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +890,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,3.89,Potassium acetate,1268824-69-6,Butyronitrile +891,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,19.97,Potassium acetate,JackiePhos,Butyronitrile +892,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,16.04,Potassium acetate,SCHEMBL15068049,Butyronitrile +893,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Potassium acetate,Me2PPh,Butyronitrile +894,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,26.88,Potassium pivalate,P(2-furyl)3,Butyronitrile +895,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +896,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,0,Potassium pivalate,1268824-69-6,Butyronitrile +897,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,0,Potassium pivalate,JackiePhos,Butyronitrile +898,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,57.18,Potassium pivalate,SCHEMBL15068049,Butyronitrile +899,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Potassium pivalate,Me2PPh,Butyronitrile +900,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,26.28,Cesium acetate,P(2-furyl)3,Butyronitrile +901,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +902,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,18.59,Cesium acetate,1268824-69-6,Butyronitrile +903,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,32.14,Cesium acetate,JackiePhos,Butyronitrile +904,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,57.95,Cesium acetate,SCHEMBL15068049,Butyronitrile +905,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Cesium acetate,Me2PPh,Butyronitrile +906,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,90,31.38,Cesium pivalate,P(2-furyl)3,Butyronitrile +907,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +908,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,90,24.25,Cesium pivalate,1268824-69-6,Butyronitrile +909,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,90,13.01,Cesium pivalate,JackiePhos,Butyronitrile +910,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,90,37.4,Cesium pivalate,SCHEMBL15068049,Butyronitrile +911,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,90,0,Cesium pivalate,Me2PPh,Butyronitrile 912,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.1,90,5.5,Potassium acetate,P(2-furyl)3,Butyl Ester 913,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.1,90,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 914,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.1,90,0.79,Potassium acetate,1268824-69-6,Butyl Ester @@ -983,30 +983,30 @@ 981,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.1,105,0,Cesium pivalate,JackiePhos,DMAc 982,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.1,105,91.11,Cesium pivalate,SCHEMBL15068049,DMAc 983,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.1,105,0,Cesium pivalate,Me2PPh,DMAc -984,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,9.1,Potassium acetate,P(2-furyl)3,Butyornitrile -985,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -986,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,14.36,Potassium acetate,1268824-69-6,Butyornitrile -987,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,19.82,Potassium acetate,JackiePhos,Butyornitrile -988,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,54.67,Potassium acetate,SCHEMBL15068049,Butyornitrile -989,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Potassium acetate,Me2PPh,Butyornitrile -990,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,46.99,Potassium pivalate,P(2-furyl)3,Butyornitrile -991,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -992,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,43.52,Potassium pivalate,1268824-69-6,Butyornitrile -993,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,16.82,Potassium pivalate,JackiePhos,Butyornitrile -994,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,76.68,Potassium pivalate,SCHEMBL15068049,Butyornitrile -995,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Potassium pivalate,Me2PPh,Butyornitrile -996,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,16.19,Cesium acetate,P(2-furyl)3,Butyornitrile -997,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -998,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,33.34,Cesium acetate,1268824-69-6,Butyornitrile -999,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,26.69,Cesium acetate,JackiePhos,Butyornitrile -1000,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,82.33,Cesium acetate,SCHEMBL15068049,Butyornitrile -1001,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Cesium acetate,Me2PPh,Butyornitrile -1002,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,25.08,Cesium pivalate,P(2-furyl)3,Butyornitrile -1003,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1004,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,39.42,Cesium pivalate,1268824-69-6,Butyornitrile -1005,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,11.95,Cesium pivalate,JackiePhos,Butyornitrile -1006,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,65.69,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1007,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Cesium pivalate,Me2PPh,Butyornitrile +984,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,9.1,Potassium acetate,P(2-furyl)3,Butyronitrile +985,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +986,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,14.36,Potassium acetate,1268824-69-6,Butyronitrile +987,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,19.82,Potassium acetate,JackiePhos,Butyronitrile +988,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,54.67,Potassium acetate,SCHEMBL15068049,Butyronitrile +989,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Potassium acetate,Me2PPh,Butyronitrile +990,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,46.99,Potassium pivalate,P(2-furyl)3,Butyronitrile +991,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +992,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,43.52,Potassium pivalate,1268824-69-6,Butyronitrile +993,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,16.82,Potassium pivalate,JackiePhos,Butyronitrile +994,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,76.68,Potassium pivalate,SCHEMBL15068049,Butyronitrile +995,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Potassium pivalate,Me2PPh,Butyronitrile +996,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,16.19,Cesium acetate,P(2-furyl)3,Butyronitrile +997,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +998,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,33.34,Cesium acetate,1268824-69-6,Butyronitrile +999,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,26.69,Cesium acetate,JackiePhos,Butyronitrile +1000,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,82.33,Cesium acetate,SCHEMBL15068049,Butyronitrile +1001,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Cesium acetate,Me2PPh,Butyronitrile +1002,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,105,25.08,Cesium pivalate,P(2-furyl)3,Butyronitrile +1003,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,105,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1004,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,105,39.42,Cesium pivalate,1268824-69-6,Butyronitrile +1005,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,105,11.95,Cesium pivalate,JackiePhos,Butyronitrile +1006,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,105,65.69,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1007,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,105,0,Cesium pivalate,Me2PPh,Butyronitrile 1008,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.1,105,9.87,Potassium acetate,P(2-furyl)3,Butyl Ester 1009,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.1,105,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1010,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.1,105,2.85,Potassium acetate,1268824-69-6,Butyl Ester @@ -1079,30 +1079,30 @@ 1077,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.1,120,13.46,Cesium pivalate,JackiePhos,DMAc 1078,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.1,120,83.85,Cesium pivalate,SCHEMBL15068049,DMAc 1079,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.1,120,0,Cesium pivalate,Me2PPh,DMAc -1080,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,13.89,Potassium acetate,P(2-furyl)3,Butyornitrile -1081,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1082,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,22.06,Potassium acetate,1268824-69-6,Butyornitrile -1083,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,20.08,Potassium acetate,JackiePhos,Butyornitrile -1084,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,67.57,Potassium acetate,SCHEMBL15068049,Butyornitrile -1085,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Potassium acetate,Me2PPh,Butyornitrile -1086,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,40.02,Potassium pivalate,P(2-furyl)3,Butyornitrile -1087,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1088,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,56.45,Potassium pivalate,1268824-69-6,Butyornitrile -1089,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,16.47,Potassium pivalate,JackiePhos,Butyornitrile -1090,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,70.51,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1091,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Potassium pivalate,Me2PPh,Butyornitrile -1092,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,13.75,Cesium acetate,P(2-furyl)3,Butyornitrile -1093,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1094,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,40.61,Cesium acetate,1268824-69-6,Butyornitrile -1095,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,23.5,Cesium acetate,JackiePhos,Butyornitrile -1096,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,88.82,Cesium acetate,SCHEMBL15068049,Butyornitrile -1097,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Cesium acetate,Me2PPh,Butyornitrile -1098,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,37.73,Cesium pivalate,P(2-furyl)3,Butyornitrile -1099,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1100,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,48.15,Cesium pivalate,1268824-69-6,Butyornitrile -1101,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,12.12,Cesium pivalate,JackiePhos,Butyornitrile -1102,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,71.57,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1103,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Cesium pivalate,Me2PPh,Butyornitrile +1080,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,13.89,Potassium acetate,P(2-furyl)3,Butyronitrile +1081,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1082,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,22.06,Potassium acetate,1268824-69-6,Butyronitrile +1083,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,20.08,Potassium acetate,JackiePhos,Butyronitrile +1084,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,67.57,Potassium acetate,SCHEMBL15068049,Butyronitrile +1085,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Potassium acetate,Me2PPh,Butyronitrile +1086,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,40.02,Potassium pivalate,P(2-furyl)3,Butyronitrile +1087,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1088,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,56.45,Potassium pivalate,1268824-69-6,Butyronitrile +1089,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,16.47,Potassium pivalate,JackiePhos,Butyronitrile +1090,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,70.51,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1091,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Potassium pivalate,Me2PPh,Butyronitrile +1092,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,13.75,Cesium acetate,P(2-furyl)3,Butyronitrile +1093,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1094,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,40.61,Cesium acetate,1268824-69-6,Butyronitrile +1095,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,23.5,Cesium acetate,JackiePhos,Butyronitrile +1096,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,88.82,Cesium acetate,SCHEMBL15068049,Butyronitrile +1097,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Cesium acetate,Me2PPh,Butyronitrile +1098,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.1,120,37.73,Cesium pivalate,P(2-furyl)3,Butyronitrile +1099,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.1,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1100,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.1,120,48.15,Cesium pivalate,1268824-69-6,Butyronitrile +1101,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.1,120,12.12,Cesium pivalate,JackiePhos,Butyronitrile +1102,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.1,120,71.57,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1103,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.1,120,0,Cesium pivalate,Me2PPh,Butyronitrile 1104,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.1,120,21.34,Potassium acetate,P(2-furyl)3,Butyl Ester 1105,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.1,120,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1106,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.1,120,11.31,Potassium acetate,1268824-69-6,Butyl Ester @@ -1175,30 +1175,30 @@ 1173,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.057,90,2.72,Cesium pivalate,JackiePhos,DMAc 1174,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.057,90,65.32,Cesium pivalate,SCHEMBL15068049,DMAc 1175,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.057,90,0,Cesium pivalate,Me2PPh,DMAc -1176,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,2.62,Potassium acetate,P(2-furyl)3,Butyornitrile -1177,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1178,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,4.98,Potassium acetate,1268824-69-6,Butyornitrile -1179,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,20.5,Potassium acetate,JackiePhos,Butyornitrile -1180,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,17.45,Potassium acetate,SCHEMBL15068049,Butyornitrile -1181,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Potassium acetate,Me2PPh,Butyornitrile -1182,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,37.93,Potassium pivalate,P(2-furyl)3,Butyornitrile -1183,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1184,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,28.17,Potassium pivalate,1268824-69-6,Butyornitrile -1185,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,16.57,Potassium pivalate,JackiePhos,Butyornitrile -1186,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,51.32,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1187,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Potassium pivalate,Me2PPh,Butyornitrile -1188,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,12.91,Cesium acetate,P(2-furyl)3,Butyornitrile -1189,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1190,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,21.15,Cesium acetate,1268824-69-6,Butyornitrile -1191,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,23.51,Cesium acetate,JackiePhos,Butyornitrile -1192,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,57.85,Cesium acetate,SCHEMBL15068049,Butyornitrile -1193,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Cesium acetate,Me2PPh,Butyornitrile -1194,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,26.3,Cesium pivalate,P(2-furyl)3,Butyornitrile -1195,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1196,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,29.23,Cesium pivalate,1268824-69-6,Butyornitrile -1197,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,11.65,Cesium pivalate,JackiePhos,Butyornitrile -1198,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,43.22,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1199,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Cesium pivalate,Me2PPh,Butyornitrile +1176,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,2.62,Potassium acetate,P(2-furyl)3,Butyronitrile +1177,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1178,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,4.98,Potassium acetate,1268824-69-6,Butyronitrile +1179,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,20.5,Potassium acetate,JackiePhos,Butyronitrile +1180,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,17.45,Potassium acetate,SCHEMBL15068049,Butyronitrile +1181,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Potassium acetate,Me2PPh,Butyronitrile +1182,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,37.93,Potassium pivalate,P(2-furyl)3,Butyronitrile +1183,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1184,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,28.17,Potassium pivalate,1268824-69-6,Butyronitrile +1185,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,16.57,Potassium pivalate,JackiePhos,Butyronitrile +1186,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,51.32,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1187,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Potassium pivalate,Me2PPh,Butyronitrile +1188,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,12.91,Cesium acetate,P(2-furyl)3,Butyronitrile +1189,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1190,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,21.15,Cesium acetate,1268824-69-6,Butyronitrile +1191,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,23.51,Cesium acetate,JackiePhos,Butyronitrile +1192,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,57.85,Cesium acetate,SCHEMBL15068049,Butyronitrile +1193,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Cesium acetate,Me2PPh,Butyronitrile +1194,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,90,26.3,Cesium pivalate,P(2-furyl)3,Butyronitrile +1195,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1196,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,90,29.23,Cesium pivalate,1268824-69-6,Butyronitrile +1197,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,90,11.65,Cesium pivalate,JackiePhos,Butyronitrile +1198,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,90,43.22,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1199,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,90,0,Cesium pivalate,Me2PPh,Butyronitrile 1200,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.057,90,3.78,Potassium acetate,P(2-furyl)3,Butyl Ester 1201,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.057,90,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1202,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.057,90,3.14,Potassium acetate,1268824-69-6,Butyl Ester @@ -1271,30 +1271,30 @@ 1269,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.057,105,9.52,Cesium pivalate,JackiePhos,DMAc 1270,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.057,105,91.06,Cesium pivalate,SCHEMBL15068049,DMAc 1271,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.057,105,0,Cesium pivalate,Me2PPh,DMAc -1272,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,8.17,Potassium acetate,P(2-furyl)3,Butyornitrile -1273,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1274,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,13.79,Potassium acetate,1268824-69-6,Butyornitrile -1275,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,24.09,Potassium acetate,JackiePhos,Butyornitrile -1276,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,36.66,Potassium acetate,SCHEMBL15068049,Butyornitrile -1277,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Potassium acetate,Me2PPh,Butyornitrile -1278,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,43.79,Potassium pivalate,P(2-furyl)3,Butyornitrile -1279,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,1.52,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1280,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,49.19,Potassium pivalate,1268824-69-6,Butyornitrile -1281,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,15.64,Potassium pivalate,JackiePhos,Butyornitrile -1282,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,76.85,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1283,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Potassium pivalate,Me2PPh,Butyornitrile -1284,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,20.05,Cesium acetate,P(2-furyl)3,Butyornitrile -1285,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0.04,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1286,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,36.9,Cesium acetate,1268824-69-6,Butyornitrile -1287,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,23.83,Cesium acetate,JackiePhos,Butyornitrile -1288,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,67.85,Cesium acetate,SCHEMBL15068049,Butyornitrile -1289,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Cesium acetate,Me2PPh,Butyornitrile -1290,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,34.47,Cesium pivalate,P(2-furyl)3,Butyornitrile -1291,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0.53,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1292,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,46.17,Cesium pivalate,1268824-69-6,Butyornitrile -1293,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,10.68,Cesium pivalate,JackiePhos,Butyornitrile -1294,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,11.18,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1295,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Cesium pivalate,Me2PPh,Butyornitrile +1272,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,8.17,Potassium acetate,P(2-furyl)3,Butyronitrile +1273,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1274,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,13.79,Potassium acetate,1268824-69-6,Butyronitrile +1275,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,24.09,Potassium acetate,JackiePhos,Butyronitrile +1276,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,36.66,Potassium acetate,SCHEMBL15068049,Butyronitrile +1277,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Potassium acetate,Me2PPh,Butyronitrile +1278,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,43.79,Potassium pivalate,P(2-furyl)3,Butyronitrile +1279,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,1.52,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1280,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,49.19,Potassium pivalate,1268824-69-6,Butyronitrile +1281,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,15.64,Potassium pivalate,JackiePhos,Butyronitrile +1282,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,76.85,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1283,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Potassium pivalate,Me2PPh,Butyronitrile +1284,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,20.05,Cesium acetate,P(2-furyl)3,Butyronitrile +1285,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0.04,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1286,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,36.9,Cesium acetate,1268824-69-6,Butyronitrile +1287,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,23.83,Cesium acetate,JackiePhos,Butyronitrile +1288,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,67.85,Cesium acetate,SCHEMBL15068049,Butyronitrile +1289,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Cesium acetate,Me2PPh,Butyronitrile +1290,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,105,34.47,Cesium pivalate,P(2-furyl)3,Butyronitrile +1291,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,105,0.53,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1292,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,105,46.17,Cesium pivalate,1268824-69-6,Butyronitrile +1293,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,105,10.68,Cesium pivalate,JackiePhos,Butyronitrile +1294,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,105,11.18,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1295,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,105,0,Cesium pivalate,Me2PPh,Butyronitrile 1296,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.057,105,8.43,Potassium acetate,P(2-furyl)3,Butyl Ester 1297,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.057,105,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1298,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.057,105,2.21,Potassium acetate,1268824-69-6,Butyl Ester @@ -1367,30 +1367,30 @@ 1365,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.057,120,22.07,Cesium pivalate,JackiePhos,DMAc 1366,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.057,120,92.03,Cesium pivalate,SCHEMBL15068049,DMAc 1367,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.057,120,0,Cesium pivalate,Me2PPh,DMAc -1368,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,12.25,Potassium acetate,P(2-furyl)3,Butyornitrile -1369,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1370,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,20.95,Potassium acetate,1268824-69-6,Butyornitrile -1371,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,21.88,Potassium acetate,JackiePhos,Butyornitrile -1372,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,76.66,Potassium acetate,SCHEMBL15068049,Butyornitrile -1373,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Potassium acetate,Me2PPh,Butyornitrile -1374,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,31.53,Potassium pivalate,P(2-furyl)3,Butyornitrile -1375,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1376,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,64.48,Potassium pivalate,1268824-69-6,Butyornitrile -1377,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,16.07,Potassium pivalate,JackiePhos,Butyornitrile -1378,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,77.52,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1379,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Potassium pivalate,Me2PPh,Butyornitrile -1380,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,25.45,Cesium acetate,P(2-furyl)3,Butyornitrile -1381,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1382,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,49.09,Cesium acetate,1268824-69-6,Butyornitrile -1383,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,23.23,Cesium acetate,JackiePhos,Butyornitrile -1384,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,50.74,Cesium acetate,SCHEMBL15068049,Butyornitrile -1385,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Cesium acetate,Me2PPh,Butyornitrile -1386,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,23.81,Cesium pivalate,P(2-furyl)3,Butyornitrile -1387,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1388,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,58.13,Cesium pivalate,1268824-69-6,Butyornitrile -1389,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,11.26,Cesium pivalate,JackiePhos,Butyornitrile -1390,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,75.46,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1391,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Cesium pivalate,Me2PPh,Butyornitrile +1368,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,12.25,Potassium acetate,P(2-furyl)3,Butyronitrile +1369,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1370,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,20.95,Potassium acetate,1268824-69-6,Butyronitrile +1371,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,21.88,Potassium acetate,JackiePhos,Butyronitrile +1372,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,76.66,Potassium acetate,SCHEMBL15068049,Butyronitrile +1373,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Potassium acetate,Me2PPh,Butyronitrile +1374,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,31.53,Potassium pivalate,P(2-furyl)3,Butyronitrile +1375,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1376,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,64.48,Potassium pivalate,1268824-69-6,Butyronitrile +1377,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,16.07,Potassium pivalate,JackiePhos,Butyronitrile +1378,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,77.52,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1379,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Potassium pivalate,Me2PPh,Butyronitrile +1380,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,25.45,Cesium acetate,P(2-furyl)3,Butyronitrile +1381,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1382,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,49.09,Cesium acetate,1268824-69-6,Butyronitrile +1383,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,23.23,Cesium acetate,JackiePhos,Butyronitrile +1384,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,50.74,Cesium acetate,SCHEMBL15068049,Butyronitrile +1385,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Cesium acetate,Me2PPh,Butyronitrile +1386,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.057,120,23.81,Cesium pivalate,P(2-furyl)3,Butyronitrile +1387,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.057,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1388,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.057,120,58.13,Cesium pivalate,1268824-69-6,Butyronitrile +1389,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.057,120,11.26,Cesium pivalate,JackiePhos,Butyronitrile +1390,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.057,120,75.46,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1391,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.057,120,0,Cesium pivalate,Me2PPh,Butyronitrile 1392,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.057,120,9.35,Potassium acetate,P(2-furyl)3,Butyl Ester 1393,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.057,120,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1394,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.057,120,0,Potassium acetate,1268824-69-6,Butyl Ester @@ -1463,30 +1463,30 @@ 1461,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.153,90,0.97,Cesium pivalate,JackiePhos,DMAc 1462,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.153,90,84.03,Cesium pivalate,SCHEMBL15068049,DMAc 1463,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.153,90,0,Cesium pivalate,Me2PPh,DMAc -1464,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,5.7,Potassium acetate,P(2-furyl)3,Butyornitrile -1465,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1466,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,5.26,Potassium acetate,1268824-69-6,Butyornitrile -1467,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,24.05,Potassium acetate,JackiePhos,Butyornitrile -1468,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,19.99,Potassium acetate,SCHEMBL15068049,Butyornitrile -1469,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Potassium acetate,Me2PPh,Butyornitrile -1470,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,52.2,Potassium pivalate,P(2-furyl)3,Butyornitrile -1471,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1472,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,14.99,Potassium pivalate,1268824-69-6,Butyornitrile -1473,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,22.3,Potassium pivalate,JackiePhos,Butyornitrile -1474,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,52.23,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1475,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Potassium pivalate,Me2PPh,Butyornitrile -1476,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,29.45,Cesium acetate,P(2-furyl)3,Butyornitrile -1477,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1478,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,16.44,Cesium acetate,1268824-69-6,Butyornitrile -1479,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,36.32,Cesium acetate,JackiePhos,Butyornitrile -1480,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,63.2,Cesium acetate,SCHEMBL15068049,Butyornitrile -1481,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Cesium acetate,Me2PPh,Butyornitrile -1482,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,44.4,Cesium pivalate,P(2-furyl)3,Butyornitrile -1483,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1484,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,18.19,Cesium pivalate,1268824-69-6,Butyornitrile -1485,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,16.91,Cesium pivalate,JackiePhos,Butyornitrile -1486,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,36.73,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1487,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Cesium pivalate,Me2PPh,Butyornitrile +1464,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,5.7,Potassium acetate,P(2-furyl)3,Butyronitrile +1465,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1466,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,5.26,Potassium acetate,1268824-69-6,Butyronitrile +1467,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,24.05,Potassium acetate,JackiePhos,Butyronitrile +1468,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,19.99,Potassium acetate,SCHEMBL15068049,Butyronitrile +1469,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Potassium acetate,Me2PPh,Butyronitrile +1470,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,52.2,Potassium pivalate,P(2-furyl)3,Butyronitrile +1471,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1472,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,14.99,Potassium pivalate,1268824-69-6,Butyronitrile +1473,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,22.3,Potassium pivalate,JackiePhos,Butyronitrile +1474,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,52.23,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1475,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Potassium pivalate,Me2PPh,Butyronitrile +1476,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,29.45,Cesium acetate,P(2-furyl)3,Butyronitrile +1477,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1478,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,16.44,Cesium acetate,1268824-69-6,Butyronitrile +1479,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,36.32,Cesium acetate,JackiePhos,Butyronitrile +1480,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,63.2,Cesium acetate,SCHEMBL15068049,Butyronitrile +1481,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Cesium acetate,Me2PPh,Butyronitrile +1482,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,90,44.4,Cesium pivalate,P(2-furyl)3,Butyronitrile +1483,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,90,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1484,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,90,18.19,Cesium pivalate,1268824-69-6,Butyronitrile +1485,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,90,16.91,Cesium pivalate,JackiePhos,Butyronitrile +1486,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,90,36.73,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1487,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,90,0,Cesium pivalate,Me2PPh,Butyronitrile 1488,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.153,90,10.04,Potassium acetate,P(2-furyl)3,Butyl Ester 1489,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.153,90,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1490,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.153,90,0,Potassium acetate,1268824-69-6,Butyl Ester @@ -1559,30 +1559,30 @@ 1557,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.153,105,2.84,Cesium pivalate,JackiePhos,DMAc 1558,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.153,105,100,Cesium pivalate,SCHEMBL15068049,DMAc 1559,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.153,105,0,Cesium pivalate,Me2PPh,DMAc -1560,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,11.61,Potassium acetate,P(2-furyl)3,Butyornitrile -1561,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1562,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,11.6,Potassium acetate,1268824-69-6,Butyornitrile -1563,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,21.86,Potassium acetate,JackiePhos,Butyornitrile -1564,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,50.75,Potassium acetate,SCHEMBL15068049,Butyornitrile -1565,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Potassium acetate,Me2PPh,Butyornitrile -1566,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,57.68,Potassium pivalate,P(2-furyl)3,Butyornitrile -1567,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1568,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,30.77,Potassium pivalate,1268824-69-6,Butyornitrile -1569,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,23.1,Potassium pivalate,JackiePhos,Butyornitrile -1570,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,69.2,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1571,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Potassium pivalate,Me2PPh,Butyornitrile -1572,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,31.29,Cesium acetate,P(2-furyl)3,Butyornitrile -1573,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1574,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,28.37,Cesium acetate,1268824-69-6,Butyornitrile -1575,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,32.74,Cesium acetate,JackiePhos,Butyornitrile -1576,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,96.38,Cesium acetate,SCHEMBL15068049,Butyornitrile -1577,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Cesium acetate,Me2PPh,Butyornitrile -1578,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,52.69,Cesium pivalate,P(2-furyl)3,Butyornitrile -1579,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1580,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,29.82,Cesium pivalate,1268824-69-6,Butyornitrile -1581,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,13.99,Cesium pivalate,JackiePhos,Butyornitrile -1582,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,53.52,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1583,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Cesium pivalate,Me2PPh,Butyornitrile +1560,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,11.61,Potassium acetate,P(2-furyl)3,Butyronitrile +1561,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1562,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,11.6,Potassium acetate,1268824-69-6,Butyronitrile +1563,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,21.86,Potassium acetate,JackiePhos,Butyronitrile +1564,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,50.75,Potassium acetate,SCHEMBL15068049,Butyronitrile +1565,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Potassium acetate,Me2PPh,Butyronitrile +1566,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,57.68,Potassium pivalate,P(2-furyl)3,Butyronitrile +1567,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1568,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,30.77,Potassium pivalate,1268824-69-6,Butyronitrile +1569,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,23.1,Potassium pivalate,JackiePhos,Butyronitrile +1570,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,69.2,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1571,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Potassium pivalate,Me2PPh,Butyronitrile +1572,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,31.29,Cesium acetate,P(2-furyl)3,Butyronitrile +1573,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1574,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,28.37,Cesium acetate,1268824-69-6,Butyronitrile +1575,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,32.74,Cesium acetate,JackiePhos,Butyronitrile +1576,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,96.38,Cesium acetate,SCHEMBL15068049,Butyronitrile +1577,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Cesium acetate,Me2PPh,Butyronitrile +1578,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,105,52.69,Cesium pivalate,P(2-furyl)3,Butyronitrile +1579,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,105,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1580,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,105,29.82,Cesium pivalate,1268824-69-6,Butyronitrile +1581,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,105,13.99,Cesium pivalate,JackiePhos,Butyronitrile +1582,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,105,53.52,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1583,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,105,0,Cesium pivalate,Me2PPh,Butyronitrile 1584,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.153,105,14.19,Potassium acetate,P(2-furyl)3,Butyl Ester 1585,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.153,105,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1586,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.153,105,1.31,Potassium acetate,1268824-69-6,Butyl Ester @@ -1655,30 +1655,30 @@ 1653,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CC(N(C)C)=O,0.153,120,5.65,Cesium pivalate,JackiePhos,DMAc 1654,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CC(N(C)C)=O,0.153,120,92.19,Cesium pivalate,SCHEMBL15068049,DMAc 1655,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CC(N(C)C)=O,0.153,120,0,Cesium pivalate,Me2PPh,DMAc -1656,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,3.04,Potassium acetate,P(2-furyl)3,Butyornitrile -1657,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Potassium acetate,Methyldiphenylphosphine,Butyornitrile -1658,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,19.95,Potassium acetate,1268824-69-6,Butyornitrile -1659,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,20.72,Potassium acetate,JackiePhos,Butyornitrile -1660,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,80.86,Potassium acetate,SCHEMBL15068049,Butyornitrile -1661,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Potassium acetate,Me2PPh,Butyornitrile -1662,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,53.11,Potassium pivalate,P(2-furyl)3,Butyornitrile -1663,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyornitrile -1664,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,45.37,Potassium pivalate,1268824-69-6,Butyornitrile -1665,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,20.51,Potassium pivalate,JackiePhos,Butyornitrile -1666,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,80.65,Potassium pivalate,SCHEMBL15068049,Butyornitrile -1667,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Potassium pivalate,Me2PPh,Butyornitrile -1668,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,30.17,Cesium acetate,P(2-furyl)3,Butyornitrile -1669,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Cesium acetate,Methyldiphenylphosphine,Butyornitrile -1670,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,36.46,Cesium acetate,1268824-69-6,Butyornitrile -1671,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,27.41,Cesium acetate,JackiePhos,Butyornitrile -1672,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,99.98,Cesium acetate,SCHEMBL15068049,Butyornitrile -1673,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Cesium acetate,Me2PPh,Butyornitrile -1674,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,49.48,Cesium pivalate,P(2-furyl)3,Butyornitrile -1675,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyornitrile -1676,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,39.2,Cesium pivalate,1268824-69-6,Butyornitrile -1677,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,13.79,Cesium pivalate,JackiePhos,Butyornitrile -1678,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,71.81,Cesium pivalate,SCHEMBL15068049,Butyornitrile -1679,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Cesium pivalate,Me2PPh,Butyornitrile +1656,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,3.04,Potassium acetate,P(2-furyl)3,Butyronitrile +1657,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Potassium acetate,Methyldiphenylphosphine,Butyronitrile +1658,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,19.95,Potassium acetate,1268824-69-6,Butyronitrile +1659,O=C([O-])C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,20.72,Potassium acetate,JackiePhos,Butyronitrile +1660,O=C([O-])C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,80.86,Potassium acetate,SCHEMBL15068049,Butyronitrile +1661,O=C([O-])C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Potassium acetate,Me2PPh,Butyronitrile +1662,O=C([O-])C(C)(C)C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,53.11,Potassium pivalate,P(2-furyl)3,Butyronitrile +1663,O=C([O-])C(C)(C)C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Potassium pivalate,Methyldiphenylphosphine,Butyronitrile +1664,O=C([O-])C(C)(C)C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,45.37,Potassium pivalate,1268824-69-6,Butyronitrile +1665,O=C([O-])C(C)(C)C.[K+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,20.51,Potassium pivalate,JackiePhos,Butyronitrile +1666,O=C([O-])C(C)(C)C.[K+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,80.65,Potassium pivalate,SCHEMBL15068049,Butyronitrile +1667,O=C([O-])C(C)(C)C.[K+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Potassium pivalate,Me2PPh,Butyronitrile +1668,O=C([O-])C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,30.17,Cesium acetate,P(2-furyl)3,Butyronitrile +1669,O=C([O-])C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Cesium acetate,Methyldiphenylphosphine,Butyronitrile +1670,O=C([O-])C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,36.46,Cesium acetate,1268824-69-6,Butyronitrile +1671,O=C([O-])C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,27.41,Cesium acetate,JackiePhos,Butyronitrile +1672,O=C([O-])C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,99.98,Cesium acetate,SCHEMBL15068049,Butyronitrile +1673,O=C([O-])C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Cesium acetate,Me2PPh,Butyronitrile +1674,O=C([O-])C(C)(C)C.[Cs+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCC#N,0.153,120,49.48,Cesium pivalate,P(2-furyl)3,Butyronitrile +1675,O=C([O-])C(C)(C)C.[Cs+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCC#N,0.153,120,0,Cesium pivalate,Methyldiphenylphosphine,Butyronitrile +1676,O=C([O-])C(C)(C)C.[Cs+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCC#N,0.153,120,39.2,Cesium pivalate,1268824-69-6,Butyronitrile +1677,O=C([O-])C(C)(C)C.[Cs+],FC(F)(F)C1=CC(P(C2=C(C3=C(C(C)C)C=C(C(C)C)C=C3C(C)C)C(OC)=CC=C2OC)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=CC(C(F)(F)F)=C1,CCCC#N,0.153,120,13.79,Cesium pivalate,JackiePhos,Butyronitrile +1678,O=C([O-])C(C)(C)C.[Cs+],C[C@]1(O2)O[C@](C[C@]2(C)P3C4=CC=CC=C4)(C)O[C@]3(C)C1,CCCC#N,0.153,120,71.81,Cesium pivalate,SCHEMBL15068049,Butyronitrile +1679,O=C([O-])C(C)(C)C.[Cs+],CP(C)C1=CC=CC=C1,CCCC#N,0.153,120,0,Cesium pivalate,Me2PPh,Butyronitrile 1680,O=C([O-])C.[K+],P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3,CCCCOC(C)=O,0.153,120,13.12,Potassium acetate,P(2-furyl)3,Butyl Ester 1681,O=C([O-])C.[K+],CP(C1=CC=CC=C1)C2=CC=CC=C2,CCCCOC(C)=O,0.153,120,0,Potassium acetate,Methyldiphenylphosphine,Butyl Ester 1682,O=C([O-])C.[K+],CC(OC1=C(P(C2CCCCC2)C3CCCCC3)C(OC(C)C)=CC=C1)C,CCCCOC(C)=O,0.153,120,8.2,Potassium acetate,1268824-69-6,Butyl Ester diff --git a/pyproject.toml b/pyproject.toml index 1732f699d7..d25d788baa 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -77,6 +77,11 @@ chem = [ "scikit-fingerprints>=1.13.1", ] +llm = [ + "litellm>=1.70.0", + "tabulate>=0.9.0", +] + onnx = [ "onnx>=1.16.0", # see AUDIT NOTE, required by skl2onnx "onnxruntime>=1.15.1", diff --git a/tests/test_llm_recommender.py b/tests/test_llm_recommender.py new file mode 100644 index 0000000000..2f9ba8d3a4 --- /dev/null +++ b/tests/test_llm_recommender.py @@ -0,0 +1,281 @@ +"""Tests for the LLM-based recommender.""" + +import json +from types import SimpleNamespace +from unittest.mock import patch + +import pandas as pd +import pytest + +from baybe.exceptions import LLMResponseError +from baybe.parameters import ( + CategoricalParameter, + NumericalContinuousParameter, +) +from baybe.recommenders.pure.llm.llm import ( + LLMRecommender, + ParameterDescription, + ParameterType, +) +from baybe.searchspace import SearchSpace + + +@pytest.fixture +def mock_llm_response(): + """Create a mock LLM response.""" + return SimpleNamespace( + choices=[ + SimpleNamespace( + message=SimpleNamespace( + content=json.dumps( + [ + { + "explanation": "Test suggestion 1", + "parameters": { + "temperature": 25.0, + "pressure": 2.0, + "catalyst": "A", + }, + }, + { + "explanation": "Test suggestion 2", + "parameters": { + "temperature": 30.0, + "pressure": 1.5, + "catalyst": "B", + }, + }, + ] + ) + ) + ) + ] + ) + + +@pytest.fixture +def parameter_descriptions(): + """Create parameter descriptions for testing.""" + return [ + ParameterDescription( + name="temperature", + description="Reaction temperature", + type=ParameterType.CONTINUOUS, + bounds=(0.0, 100.0), + unit="°C", + ), + ParameterDescription( + name="pressure", + description="Reaction pressure", + type=ParameterType.CONTINUOUS, + bounds=(0.0, 5.0), + unit="bar", + ), + ParameterDescription( + name="catalyst", + description="Catalyst type", + type=ParameterType.DISCRETE_CATEGORICAL, + bounds=["A", "B", "C"], + ), + ] + + +@pytest.fixture +def searchspace(): + """Create a search space for testing.""" + parameters = [ + NumericalContinuousParameter( + name="temperature", + bounds=(0.0, 100.0), + ), + NumericalContinuousParameter( + name="pressure", + bounds=(0.0, 5.0), + ), + CategoricalParameter( + name="catalyst", + values=["A", "B", "C"], + ), + ] + return SearchSpace.from_product(parameters) + + +@pytest.fixture +def llm_recommender(parameter_descriptions): + """Create an LLMRecommender instance for testing.""" + return LLMRecommender( + model="gpt-3.5-turbo", + experiment_description="Test experiment", + objective_description="Maximize yield", + parameter_descriptions=parameter_descriptions, + ) + + +def test_llm_recommender_initialization(llm_recommender, parameter_descriptions): + """Test that LLMRecommender initializes correctly.""" + assert llm_recommender.model == "gpt-3.5-turbo" + assert llm_recommender.experiment_description == "Test experiment" + assert llm_recommender.objective_description == "Maximize yield" + assert llm_recommender.parameter_descriptions == parameter_descriptions + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_success( + mock_completion, llm_recommender, searchspace, mock_llm_response +): + """Test successful recommendation generation.""" + mock_completion.return_value = mock_llm_response + + recommendations = llm_recommender.recommend( + batch_size=2, + searchspace=searchspace, + ) + + assert isinstance(recommendations, pd.DataFrame) + assert len(recommendations) == 2 + assert list(recommendations.columns) == ["temperature", "pressure", "catalyst"] + assert recommendations["temperature"].tolist() == [25.0, 30.0] + assert recommendations["pressure"].tolist() == [2.0, 1.5] + assert recommendations["catalyst"].tolist() == ["A", "B"] + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_with_measurements( + mock_completion, llm_recommender, searchspace, mock_llm_response +): + """Test recommendation generation with previous measurements.""" + mock_completion.return_value = mock_llm_response + + measurements = pd.DataFrame( + { + "temperature": [20.0, 25.0], + "pressure": [1.0, 2.0], + "catalyst": ["A", "B"], + "yield": [0.5, 0.7], + } + ) + + recommendations = llm_recommender.recommend( + batch_size=2, + searchspace=searchspace, + measurements=measurements, + ) + + assert isinstance(recommendations, pd.DataFrame) + assert len(recommendations) == 2 + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_with_invalid_response(mock_completion, llm_recommender, searchspace): + """Test handling of invalid LLM response.""" + # Mock an invalid JSON response + mock_completion.return_value = SimpleNamespace( + choices=[SimpleNamespace(message=SimpleNamespace(content="Invalid JSON"))] + ) + + with pytest.raises(LLMResponseError): + llm_recommender.recommend( + batch_size=2, + searchspace=searchspace, + ) + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_with_out_of_bounds_values( + mock_completion, llm_recommender, searchspace +): + """Test handling of out-of-bounds parameter values.""" + # Mock response with out-of-bounds temperature + mock_completion.return_value = SimpleNamespace( + choices=[ + SimpleNamespace( + message=SimpleNamespace( + content=json.dumps( + [ + { + "explanation": "Test suggestion", + "parameters": { + "temperature": 150.0, # Out of bounds + "pressure": 2.0, + "catalyst": "A", + }, + } + ] + ) + ) + ) + ] + ) + + with pytest.raises(LLMResponseError): + llm_recommender.recommend( + batch_size=1, + searchspace=searchspace, + ) + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_with_invalid_categorical_value( + mock_completion, llm_recommender, searchspace +): + """Test handling of invalid categorical parameter values.""" + # Mock response with invalid catalyst value + mock_completion.return_value = SimpleNamespace( + choices=[ + SimpleNamespace( + message=SimpleNamespace( + content=json.dumps( + [ + { + "explanation": "Test suggestion", + "parameters": { + "temperature": 25.0, + "pressure": 2.0, + "catalyst": "D", # Invalid value + }, + } + ] + ) + ) + ) + ] + ) + + with pytest.raises(LLMResponseError): + llm_recommender.recommend( + batch_size=1, + searchspace=searchspace, + ) + + +@patch("baybe.recommenders.pure.llm.llm.completion") +def test_recommend_with_missing_parameter( + mock_completion, llm_recommender, searchspace +): + """Test handling of missing parameters in response.""" + # Mock response missing the pressure parameter + mock_completion.return_value = SimpleNamespace( + choices=[ + SimpleNamespace( + message=SimpleNamespace( + content=json.dumps( + [ + { + "explanation": "Test suggestion", + "parameters": { + "temperature": 25.0, + "catalyst": "A", + }, + } + ] + ) + ) + ) + ] + ) + + with pytest.raises(LLMResponseError): + llm_recommender.recommend( + batch_size=1, + searchspace=searchspace, + )