Hydrochloric Acid → (RS)-alpha-Methyl-N-[1-(2-Fluorophenyl)-4-oxocyclohexyl]-3,5-bis(trifluoromethyl)benzeneacetamide

반응식

[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[ClH:20].[F:21][c:22]1[c:23]([C:28]2([NH2:35])[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]2)[cH:24][cH:25][cH:26][cH:27]1>>[CH3:1][CH:2]([C:3](=[O:4])[NH:35][C:28]1([c:23]2[c:22]([F:21])[cH:27][cH:26][cH:25][cH:24]2)[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]1)[c:6]1[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 115220582-(3,5-Bis(trifluoromethyl)phenyl)propanoic acid

HCID 695590604-Amino-4-(2-fluorophenyl)cyclohexan-1-one

생성물 1

HCID 21955300(RS)-alpha-Methyl-N-[1-(2-Fluorophenyl)-4-oxocyclohexyl]-3,5-bis(trifluoromethyl)benzeneacetamide

출처 및 근거

ORD 기록: ord-e77f1f3288fb45a1bc9c805b9a09eb1f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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