3-[[2-(azetidin-3-ylamino)-2-oxoethyl]amino]-N-tert-butyl-5-(trifluoromethyl)indazole-1-carboxamide → 3-[({1-[4-(6-Ethoxy-pyridin-3-yl)-4-hydroxy-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-amino]-5-trifluoromethyl-indazole-1-carboxylic acid tert-butylamide
反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][NH:27][CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12.[CH2:30]([CH3:31])[O:32][c:33]1[cH:34][cH:35][c:36]([C:39]2([OH:46])[CH2:40][CH2:41][C:42](=[O:45])[CH2:43][CH2:44]2)[cH:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH:21][CH2:22][C:23]([NH:24][CH:25]2[CH2:26][N:27]([CH:42]3[CH2:41][CH2:40][C:39]([c:36]4[cH:35][cH:34][c:33]([O:32][CH2:30][CH3:31])[n:38][cH:37]4)([OH:46])[CH2:44][CH2:43]3)[CH2:28]2)=[O:29])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-3664b5c3eda043a399673dc9621c8534
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)