Bicarbonate Ion → 5-bromo-7-trifluoromethyl-2-(1-propylbutyl)-3,4-dihydroisoquinoline-1(2H)-one
반응식
[C:41](=[O:42])([O-:43])[OH:44].[CH3:1][O:2][C:3]([N:4]([CH:5]([CH2:6][CH2:7][CH3:8])[CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][c:14]1[c:15]([Br:24])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)=[O:25].[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[Cl:46][CH2:47][Cl:48].[F:26][C:27]([S:28]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])(=[O:37])=[O:38])([F:39])[F:40].[Na+:45]>>[O:2]=[C:3]1[N:4]([CH:5]([CH2:6][CH2:7][CH3:8])[CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][c:14]2[c:15]([Br:24])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][c:19]21참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-f57a2e765c3f465086e8d8baaff4ba5a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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