Acetic Acid → 2-chloro-7,7-difluoro-9-isopropyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
Reaction equation
[C:24]([OH:25])(=[O:26])[CH3:27].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:21]([O-:22])=[O:23])[c:6]([N:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([F:16])[F:17])[CH:18]([CH3:19])[CH3:20])[n:7]1.[ClH:28].[Fe:30].[OH2:29]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:18]([CH3:19])[CH3:20])[CH2:9][C:10]([F:16])([F:17])[C:11](=[O:12])[NH:21]2Participants
6
Sources & evidence
- ORD record
- ord-a0a6b7dbabd34c868d7419e35c7af95c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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