Pyridine → 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-8-chloro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid cyclopentyl ester
Reaction equation
[CH:11]([N:12]([CH:13]([CH3:14])[CH3:15])[CH2:16][CH3:17])([CH3:18])[CH3:19].[Cl:1][C:2]([Cl:3])=[O:4].[Cl:57][CH2:58][Cl:59].[F:20][C:21]([c:22]1[cH:23][c:24]([CH2:25][N:26]([C:27]([CH3:28])=[O:29])[CH:30]2[c:31]3[c:32]([cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[NH:33][CH2:34][CH2:35][CH2:36]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[OH:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1.[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[C:2](=[O:4])([O:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10]1)[N:33]1[c:32]2[c:31]([cH:40][cH:39][c:38]([Cl:41])[cH:37]2)[CH:30]([N:26]([CH2:25][c:24]2[cH:23][c:22]([C:21]([F:20])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]2)[C:27]([CH3:28])=[O:29])[CH2:36][CH2:35][CH2:34]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a8c5fc13881b4a9b992a74981c8138f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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