tert-Butyl (2-amino-5-morpholino-4-(trifluoromethyl)phenyl)carbamate → (2-{3-[3-(5-Dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-3-oxo-propionylamino}-5-morpholin-4-yl-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]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[n:41]2[n:42][n:43][cH:44][c:45]2[CH2:46][N:47]([CH3:48])[CH3:49])[cH:38][cH:39][cH:40]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[n:41]3[n:42][n:43][cH:44][c:45]3[CH2:46][N:47]([CH3:48])[CH3:49])[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-f6445b7ceaff4a4db1b4d6b05670dac8
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
- DOI