Methyl 4-(bromomethyl)-3-fluorobenzoate → Methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoate
반응식
[CH3:22][O:23][C:24]([c:25]1[cH:26][c:27]([F:33])[c:28]([CH2:31][Br:32])[cH:29][cH:30]1)=[O:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[CH2:31][c:28]2[c:27]([F:33])[cH:26][c:25]([C:24]([O:23][CH3:22])=[O:34])[cH:30][cH:29]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-215a4f9c1ee8463d873e1979b262356d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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