Isopropanol → 2-[5-Chloro-2-(1-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-8-ylamino)-pyrimidin-4-ylamino]-3,N-dimethyl-benzamide
Reaction equation
[CH:34]([OH:35])([CH3:36])[CH3:37].[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])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[CH3:19])[n:7]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([cH:33]1)[C:27](=[O:32])[NH:28][CH2:29][CH2:30][CH2:31]2>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:33]2)[C:27](=[O:32])[NH:28][CH2:29][CH2:30][CH2:31]3)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[CH3:19])[n:7]1Participants
4
Sources & evidence
- ORD record
- ord-2f5307839bda4f33bec4a427efd68b6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)