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--- |
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license: mit |
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language: |
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- en |
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tags: |
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- chemistry |
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pretty_name: USPTO_Condition |
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--- |
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## USPTO_Condition |
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### Overview |
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This dataset contains reaction data in tabular format, with the following fields: |
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- **source**: Source or reference ID of the reaction. |
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- **canonical_rxn**: The canonical SMILES representation of the reaction (reactants >> products). |
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- **catalyst1**: The catalyst used in the reaction (if available). |
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- **solvent1**, **solvent2**: Solvents used in the reaction (if available). |
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- **reagent1**, **reagent2**: Reagents involved in the reaction (if available). |
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- **dataset**: Dataset category or tag. |
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### Example Data |
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| source | canonical_rxn | catalyst1 | solvent1 | solvent2 | reagent1 | reagent2 | dataset | |
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|----------------|------------------------------------------------------------------------------------------------|-----------|----------|----------|------------------|----------|---------| |
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| US20070112015A1 | CCOC(=O)CN(CC(C)=O)c1c(C)cc(C)cc1C>>Cc1cc(C)c(N2CC(=O)CC(=O)C2)c(C)c1 | | C1CCOC1 | | CC(C)(C)[O-].[K+] | | val | |
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### Preprocessing |
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The data was processed following the method described in [Parrot - USPTO condition script](https://github.com/wangxr0526/Parrot/blob/master/preprocess_script/uspto_script/uspto_condition.md), ensuring consistent SMILES representations and high-quality condition extraction. |
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### License |
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The dataset is provided under the [MIT License](https://opensource.org/licenses/MIT). |
