Water → 4-(9-cyclopentyl-7,7-difluoro-6-oxo-5-propyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(tetrahydro-pyran-4-yl)-benzamide
Reaction equation
[CH3:52][CH:53]([OH:54])[CH3:55].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:23]1)[N:7]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:8][C:9]([F:16])([F:17])[C:10](=[O:15])[N:11]2[CH2:12][CH2:13][CH3:14].[NH2:24][c:25]1[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:38][cH:39]1.[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:31][CH:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:38][cH:39]2)[n:3][cH:4][c:5]2[c:6]([n:23]1)[N:7]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:8][C:9]([F:16])([F:17])[C:10](=[O:15])[N:11]2[CH2:12][CH2:13][CH3:14]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f5aa5b3833b847dbbce03e487feeb8f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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