5-[Acetyl-(3,5-bistrifluoromethylbenzyl)amino]-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylic acid isopropyl ester → HCID 59003135, compound
Reaction equation
[CH:17]([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[c:24]2[c:25]([cH:49][cH:50][cH:51][cH:52]2)[CH:26]([N:30]([CH2:31][c:32]2[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[C:46]([CH3:47])=[O:48])[CH2:27][CH2:28][CH2:29]1.[NH2:1][c:2]1[c:3]([O:12][C:13]([F:14])([F:15])[F:16])[cH:4][cH:5][cH:6][c:7]1[C:8]([O:9][CH3:10])=[O:11]>>[O:12]([C:13]([F:14])([F:15])[F:16])[c:52]1[c:24]2[c:25]([cH:49][cH:50][cH:51]1)[CH:26]([N:30]([CH2:31][c:32]1[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)[C:46]([CH3:47])=[O:48])[CH2:27][CH2:28][CH2:29][N:23]2[C:21]([O:20][CH:17]([CH3:18])[CH3:19])=[O:22]Participants
3
Sources & evidence
- ORD record
- ord-e5108764d3c240258209b75f60d5d36d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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