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---
license: mit
language:
- en
tags:
- chemistry
pretty_name: USPTO_Condition
---
## USPTO_Condition
### Overview
This dataset contains reaction data in tabular format, with the following fields:
- **source**: Source or reference ID of the reaction.
- **canonical_rxn**: The canonical SMILES representation of the reaction (reactants >> products).
- **catalyst1**: The catalyst used in the reaction (if available).
- **solvent1**, **solvent2**: Solvents used in the reaction (if available).
- **reagent1**, **reagent2**: Reagents involved in the reaction (if available).
- **dataset**: Dataset category or tag.
### Example Data
| source | canonical_rxn | catalyst1 | solvent1 | solvent2 | reagent1 | reagent2 | dataset |
|----------------|------------------------------------------------------------------------------------------------|-----------|----------|----------|------------------|----------|---------|
| 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 |
### Preprocessing
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.
### License
The dataset is provided under the [MIT License](https://opensource.org/licenses/MIT). |