Water → 2-Chloro-9-cyclohexyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:12])[NH:11]2.[Cs+:24].[Cs+:25].[I:26][CH3:27].[OH2:33]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:12])[N:11]2[CH3:20]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-5331fb6316b9434d80cf14aa7280c2d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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