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- ---
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- license: mit
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- ---
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ ## USPTO_Condition
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+
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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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+
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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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+ | US20130053359A1 | COC(=O)c1cc(I)c(N)cc1OC.N#C[Zn]C#N>>COC(=O)c1cc(C#N)c(N)cc1OC | c1ccc([P]...)cc1 | CCOCC | CN(C)C=O | CO | val |
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+
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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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+
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+ ### License
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+ The dataset is provided under the [MIT License](https://opensource.org/licenses/MIT).