Trifluoroacetic acid → 5-(2-Carboxy-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
반응식
[CH3:1][O:2][C:3]([c:4]1[c:5]([N:20]([CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:6]([CH3:19])[cH:7][c:8]([CH:10]=[CH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:9]1)=[O:33].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:20]([CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:6]([CH3:19])[cH:7][c:8]([CH:10]=[CH:11][C:12](=[O:13])[OH:14])[cH:9]1)=[O:33]참가 물질
3
출처 및 근거
- ORD 기록
- ord-17cd5bec266c433f8948c2e76108bfb3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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