Trifluoroacetic acid → 3'-(4-Oxo-7-trifluoromethyl-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl)-biphenyl-4-sulfonic acid amide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([C:21]3=[N:27][c:26]4[c:25]([cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:28]4)[NH:24][C:23](=[O:36])[CH2:22]3)[cH:18][cH:19][cH:20]2)[cH:13][cH:14]1.[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][c:17]([C:21]3=[N:27][c:26]4[c:25]([cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:28]4)[NH:24][C:23](=[O:36])[CH2:22]3)[cH:18][cH:19][cH:20]2)[cH:13][cH:14]1Participants
3
Sources & evidence
- ORD record
- ord-5441c26ad85b43039244c7be8252697a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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