Water → 2-Chloro-9-cyclopentyl-5-ethyl-7,7-difluoro-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[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+:25].[Cs+:26].[I:27][CH2:28][CH3:29].[OH2:30]>>[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[CH2:28][CH3:29]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-ca2924b864e54635a2382a02d7c157fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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