1-tert-Butyl-5-(2-chloro-benzoylamino)-4-methyl-1H-pyrazole-3-carboxylic acid ethyl ester → 1-tert-Butyl-5-(2-chloro-benzoylamino)-4-methyl-1H-pyrazole-3-carboxylic acid
반응식
[CH2:19]([CH3:20])[O:21][C:22](=[O:23])[c:24]1[n:25][n:26]([C:40]([CH3:41])([CH3:42])[CH3:43])[c:27]([NH:30][C:31]([c:32]2[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]2)=[O:39])[c:28]1[CH3:29].[Cl:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8]([NH:9][c:10]1[nH:11][n:12][c:13]([C:14]([OH:15])=[O:16])[cH:17]1)=[O:18]>>[O:21]=[C:22]([OH:23])[c:24]1[n:25][n:26]([C:40]([CH3:41])([CH3:42])[CH3:43])[c:27]([NH:30][C:31]([c:32]2[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]2)=[O:39])[c:28]1[CH3:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-3fe839d6ebbe496788da18665d9e146f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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