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:26]([OH:27])(=[O:28])[CH3:29].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:22]([O-:23])=[O:24])[c:6]([N:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([F:15])[F:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[n:7]1.[ClH:25].[Fe:30]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:9][C:10]([F:15])([F:16])[C:11](=[O:12])[NH:22]2Participants
5
Sources & evidence
- ORD record
- ord-c46b6405f5e44cca84965e46bc0e2046
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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