Water → 4-(9-cyclobutyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(2-dimethylamino-ethyl)-benzamide
Reaction equation
[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[NH2:33][c:34]1[cH:35][cH:36][c:37]([C:38](=[O:39])[NH:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[cH:46][cH:47]1.[OH2:21].[c:22]1([CH3:23])[c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30][cH:31][cH:32]1>>[c:2]1([NH:33][c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[NH:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[cH:46][cH:47]2)[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-265d44310f3f4b2bb3dbcde53619aaaa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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