Trifluoroacetic acid → 2-Chloro-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one
Reaction equation
[CH3:26][O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:25]1)[N:7]([CH2:16][c:17]1[cH:18][cH:19][c:20]([O:21][CH3:22])[cH:23][cH:24]1)[CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:25]1)[NH:7][CH2:8][C:9]([F:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]Participants
4
Sources & evidence
- ORD record
- ord-5f8df76ed99241a8957e8ccbb63e686d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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