Pyridine → N-(1-Acetyl-8-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-N-(3,5-bis-trifluoromethyl-benzyl)-acetamide

HRID 698517Notes

Reaction equation

HRID 698517 reaction equation
[CH3:1][C:2]([Cl:3])=[O:4].[CH3:5][N:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1)[CH3:13].[Cl:51][CH2:52][Cl:53].[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].[cH:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1>>[CH3:1][C:2](=[O:4])[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]1

Participants

6

Reactant 5

HCID 1049PyridineHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 218852-DimethylaminopyridineHCID 59003177N-(3,5-Bis-trifluoromethyl-benzyl)-N-(8-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetamide

Product 1

HCID 59003196N-(1-Acetyl-8-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-N-(3,5-bis-trifluoromethyl-benzyl)-acetamide

Sources & evidence

ORD record
ord-657782a96bed4b38a9f9bc21074affc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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