Methanol → 1-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-4-(3-hydroxypropyl)-1,4-diazepan-5-one
반응식
[CH3:48][OH:49].[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH2:22][CH2:23][O:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][O:30]3)[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([O-:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[nH+:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]=[CH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH2:21][CH2:22][CH2:23][OH:24])[C:17](=[O:20])[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[Cl:8]참가 물질
5
출처 및 근거
- ORD 기록
- ord-aecb2c81c7174d83865b3ed7393ee20d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)