Trifluoroacetic acid → 4-(9-cyclopentyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
Reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:20][c:21]1[c:22]([O:30][CH3:31])[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1>>[c:2]1([NH:20][c:21]2[c:22]([O:30][CH3:31])[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]2)[n:3][cH:4][c:5]2[c:6]([n:19]1)[N:7]([CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]Participants
4
Sources & evidence
- ORD record
- ord-82835067a0ea44a3995b3a955290772d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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