Acetic Acid → 2-Chloro-9-cyclopentyl-7,7-difluoro-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one
Reaction equation
[C:33]([OH:34])(=[O:35])[CH3:36].[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:23]([O-:24])=[O:25])[c:6]([N:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([F:16])[F:17])[CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[n:7]1.[ClH:26].[Fe:37]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:9][C:10]([F:16])([F:17])[C:11](=[O:12])[NH:23]2Participants
6
Sources & evidence
- ORD record
- ord-b3ba6331558a4b768d0e3e1ff0a84732
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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