Isopropanol → 2-{[5-Chloro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N,N-dimethylbenzamide
Reaction equation
[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[N:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[n:7]1.[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[O:21]1[CH2:22][CH2:23][N:24]([CH2:27][CH2:28][c:29]2[cH:30][c:31]([NH2:32])[cH:33][cH:34][cH:35]2)[CH2:25][CH2:26]1>>[c:2]1([NH:32][c:31]2[cH:30][c:29]([CH2:28][CH2:27][N:24]3[CH2:23][CH2:22][O:21][CH2:26][CH2:25]3)[cH:35][cH:34][cH:33]2)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[N:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-cea5ae074bae414494ad56bedebdb011
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…