Water → benzyl N-[1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([CH3:21])[NH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)=[O:22].[CH2:45]([Cl:46])[Cl:47].[CH3:32][N:33]([c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[Cl:40])[cH:41][cH:42]1)[CH3:43].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[OH2:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([CH3:21])[N:14]([C:38]([c:37]2[cH:36][cH:35][c:34]([N:33]([CH3:32])[CH3:43])[cH:42][cH:41]2)=[O:39])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21)=[O:22]참가 물질
6
출처 및 근거
- ORD 기록
- ord-4385476cb6114cf2ae7f6cbdf042430e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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