Dimethylformamide → 4-[3-Chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfanylbenzoic acid
반응식
[Cl:11][c:12]1[c:13]([NH:19][C:20]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])=[O:28])[cH:14][cH:15][c:16]([I:18])[cH:17]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[SH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1)[c:16]1[cH:15][cH:14][c:13]([NH:19][C:20]([C:21]([C:22]([F:23])([F:24])[F:25])([CH3:26])[OH:27])=[O:28])[c:12]([Cl:11])[cH:17]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b8f44301e6fa46409e6b580e306767f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
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