Carbamic acid,n-[2-amino-5-(dimethylamino)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester → (5-Dimethylamino-2-{3-[3-(6-methyl-pyridazin-3-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[n:39][n:40][c:41]([CH3:44])[cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[n:39][n:40][c:41]([CH3:44])[cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1)=[O:22]参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-cfbfcb563cd3476884d127240b8395f4
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)