Hydrochloric Acid → 7-(4-Trifluoromethoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid
반응식
[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[ClH:29].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:26]2)[CH:15]=[C:16]([C:22](=[O:23])[O:24][CH3:25])[CH2:17][CH2:18][S:19]3(=[O:20])=[O:21])[cH:8][cH:9]1)([F:27])[F:28]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]3[c:14]([cH:26]2)[CH:15]=[C:16]([C:22](=[O:23])[OH:24])[CH2:17][CH2:18][S:19]3(=[O:20])=[O:21])[cH:8][cH:9]1)([F:27])[F:28]참가 물질
4
출처 및 근거
- ORD 기록
- ord-5a05ed08b9164960aa2dba6dd835e54c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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