Water → 4-(9-cyclopentyl-7,7-difluoro-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(tetrahydro-pyran-4-yl)-benzamide
Reaction equation
[CH3:49][CH:50]([OH:51])[CH3:52].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2.[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:35][cH:36]1.[OH2:37].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[cH:35][cH:36]2)[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-b83ef6c11448426bada9e466ab83709c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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