Dichloromethane → 3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 58002290tert-Butyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate

생성물 1

HCID 580025193-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine

출처 및 근거

ORD 기록: ord-4afcfc3470dd4a5794d819997b61de1e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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