Methanol → N-(3,5-Bistrifluoromethyl-benzyl)-N-(8-chloro-1-hydrazinocarbonyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetamide

HRID 1545274Notes

Reaction equation

HRID 1545274 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[N:8]([C:12](=[O:13])[Cl:14])[CH2:9][CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][OH:45].[NH2:36][NH2:37].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[N:8]([C:12](=[O:13])[NH:36][NH2:37])[CH2:9][CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1

Participants

6

Reactant 5

HCID 887MethanolHCID 962WaterHCID 8857Ethyl AcetateHCID 9321HydrazineHCID 866160835-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-8-chloro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl chloride

Product 1

HCID 86616087N-(3,5-Bistrifluoromethyl-benzyl)-N-(8-chloro-1-hydrazinocarbonyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetamide

Sources & evidence

ORD record
ord-7155d15be5594343970b386393bc9d2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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