Dichloromethane → 5-(2-benzyl-2H-indazol-6-yl)-7-(4-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
反応式
[Cl:53][CH2:54][Cl:55].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:30]1[cH:31][cH:32][c:33]3[cH:34][n:35]([CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[n:36][c:37]3[cH:38]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:30]1[cH:31][cH:32][c:33]3[cH:34][n:35]([CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[n:36][c:37]3[cH:38]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:15][cH:16]1参加物
4
出典と根拠
- ORDレコード
- ord-086c635eeebe4604a19987ddd79dc8be
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)