Hydrochloric Acid → 4-(9-Cyclohexyl-7-fluoro-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
Reaction equation
[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([CH3:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12].[ClH:35].[NH2:23][c:24]1[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]1>>[c:2]1([NH:23][c:24]2[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]2)[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([CH3:14])([F:15])[C:10](=[O:13])[N:11]2[CH3:12]Participants
5
Sources & evidence
- ORD record
- ord-b6b1be27de7e4262b1772ba410a24e6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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