Chloride → Ethyl 3-chloro-1-methyl-1H-pyrazole-4-carboxylate
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[Cl-:28].[ClH:29].[N:18]([O-:19])=[O:20].[NH2:1][c:2]1[n:3][n:4]([CH3:12])[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11].[Na+:21].[Na+:27].[O-:22][S:23](=[O:24])(=[O:25])[O-:26].[OH2:30].[P:13](=[O:14])([OH:15])([OH:16])[OH:17]>>[c:2]1([Cl:28])[n:3][n:4]([CH3:12])[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]참가 물질
9
출처 및 근거
- ORD 기록
- ord-de30c2fdb9db47d088a3db83e4296377
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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