Acetone → methyl 2-bromo-3-[4-methoxy-3-[N-(4-trifluoromethylbenzyl)]carbamoylphenyl]-propionate
반응식
[BrH:24].[C:29]([CH:30]=[CH2:31])(=[O:32])[O:33][CH3:34].[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:35][C:36](=[O:37])[CH3:38].[CH3:39][OH:40].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1.[Na+:28]>>[c:2]1([CH2:31][CH:30]([Br:24])[C:29](=[O:32])[O:33][CH3:34])[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1참가 물질
10
반응물 9
생성물 1
출처 및 근거
- ORD 기록
- ord-7623e64d94784392b9f5ce93745bd52e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
반응 노트
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