Dimethylformamide → 2-Chloro-7,7-difluoro-5-methyl-9-(2-phenyl-cyclopropyl)-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:24]1)[N:7]([CH:15]1[CH:16]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:17]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[NH:11]2.[Cs+:29].[Cs+:30].[I:31][CH3:32]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:24]1)[N:7]([CH:15]1[CH:16]([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:17]1)[CH2:8][C:9]([F:13])([F:14])[C:10](=[O:12])[N:11]2[CH3:25]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-509d78010e1544f5a30af703bec4a55b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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