1-(Piperidin-4-yl)-1,4-diazepan-5-one → 1-{1-[2-(2-tert-Butyl-4-ethoxy-pyrimidin-5-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperidin-4-yl}-[1,4]diazepan-5-one
反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:14]2=[N:18][C:17]([CH3:19])([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[C:16]([CH3:27])([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[N:15]2[C:35](=[O:36])[Cl:37])[c:9]([O:11][CH2:12][CH3:13])[n:10]1.[NH:38]1[CH2:39][CH2:40][CH:41]([N:44]2[CH2:45][CH2:46][NH:47][C:48](=[O:51])[CH2:49][CH2:50]2)[CH2:42][CH2:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][cH:7][c:8]([C:14]2=[N:18][C:17]([CH3:19])([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[C:16]([CH3:27])([c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[N:15]2[C:35](=[O:36])[N:38]2[CH2:39][CH2:40][CH:41]([N:44]3[CH2:45][CH2:46][NH:47][C:48](=[O:51])[CH2:49][CH2:50]3)[CH2:42][CH2:43]2)[c:9]([O:11][CH2:12][CH3:13])[n:10]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-df1147f014d34a59bb50e5257333a3e2
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)