Trifluoroacetic acid → 3-[({1-[4-(6-Ethoxy-pyridin-3-yl)-4-hydroxy-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-amino]-5-trifluoromethyl-indazole-1-carboxylic acid amide
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][N:27]([CH:29]3[CH2:30][CH2:31][C:32]([OH:35])([c:36]4[cH:37][n:38][c:39]([O:42][CH2:43][CH3:44])[cH:40][cH:41]4)[CH2:33][CH2:34]3)[CH2:28]2)=[O:45])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][c:16]12.[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52]>>[NH2:5][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:29]3[CH2:30][CH2:31][C:32]([OH:35])([c:36]4[cH:37][n:38][c:39]([O:42][CH2:43][CH3:44])[cH:40][cH:41]4)[CH2:33][CH2:34]3)[CH2:28]2)=[O:45])[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-9e74fbf44fe54570a0b8ed5b285be8c5
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)