Trifluoroacetic acid → 8-acetoxy-7-methoxy-3-methyl-6-phenylthio-2,3,4,5-tetrahydro-1H-3-benzazepine
반응식
[C:23]([CH3:24])(=[O:25])[Br:26].[OH:1][c:2]1[c:3]([O:21][CH3:22])[c:4]([S:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]2[c:6]([cH:13]1)[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2.[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[O:1]([c:2]1[c:3]([O:21][CH3:22])[c:4]([S:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]2[c:6]([cH:13]1)[CH2:7][CH2:8][N:9]([CH3:12])[CH2:10][CH2:11]2)[C:23]([CH3:24])=[O:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-21368f5ba88f41c795911520b477f64a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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