Hydrochloric Acid → (RS)-alpha-(3-Butenyl)-N-(4-oxo-1-phenylcyclohexyl)-3,5-bis(trifluoromethyl)-benzeneacetamide

HRID 1137083Notes

Reaction equation

HRID 1137083 reaction equation
[CH2:7]([CH2:8][CH:9]=[CH2:10])[CH:11]([C:12](=[O:13])[OH:14])[c:15]1[cH:16][c:17]([C:25]([F:26])([F:27])[F:28])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:50][CH2:51][Cl:52].[ClH:29].[O:30]=[C:31]1[CH2:32][CH2:33][C:34]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([NH2:43])[CH2:35][CH2:36]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH2:7]([CH2:8][CH:9]=[CH2:10])[CH:11]([C:12](=[O:14])[NH:43][C:34]1([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:33][CH2:32][C:31](=[O:30])[CH2:36][CH2:35]1)[c:15]1[cH:16][c:17]([C:25]([F:26])([F:27])[F:28])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 204533024-Amino-4-phenylcyclohexan-1-oneHCID 86594176(RS)-alpha-(3-butenyl)-3,5-bis(trifluoromethyl)benzeneacetic acid

Product 1

HCID 86594175(RS)-alpha-(3-Butenyl)-N-(4-oxo-1-phenylcyclohexyl)-3,5-bis(trifluoromethyl)-benzeneacetamide

Sources & evidence

ORD record
ord-ee2a58de7e1e4a1688999e975ec8bc3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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