Water → 2-Chloro-9-cyclopentyl-7,7-difluoro-5-propyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[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.[Cs+:30].[Cs+:31].[I:32][CH2:33][CH2:34][CH3:35].[OH2:36]>>[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])[N:11]2[CH2:33][CH2:34][CH3:35]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-1c6803fb2dad4bea9a2d38f38d11e9ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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