Pyridine → 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-9-methyl-7-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid isopropyl ester
Reaction equation
[CH:42]([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[Cl:48].[Cl:49][CH2:50][Cl:51].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([CH3:9])=[O:10])[CH:11]2[c:12]3[c:13]([c:18]([CH3:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[NH:14][CH2:15][CH2:16][CH2:17]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([CH3:9])=[O:10])[CH:11]2[c:12]3[c:13]([c:18]([CH3:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[N:14]([C:46]([O:45][CH:42]([CH3:43])[CH3:44])=[O:47])[CH2:15][CH2:16][CH2:17]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-dc65c1d011294f4db6f283556674a3ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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