Methyl 3-[4-(bromomethyl)phenyl]propanoate → Methyl 3-[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]phenyl]propanoate
반응식
[CH3:22][O:23][C:24]([CH2:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][Br:34])[cH:31][cH:32]1)=[O:35].[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]([CH3:19])([CH3:20])[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]([CH3:19])([CH3:20])[CH2:18]2)[CH2:33][c:30]2[cH:29][cH:28][c:27]([CH2:26][CH2:25][C:24]([O:23][CH3:22])=[O:35])[cH:32][cH:31]2)[cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-62f513f22cd34d948820857bad658300
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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