Trifluoroacetic acid → (+/-)-3'-(1-((4-Phenylpiperidin-4-yl)methoxy)ethyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile

반응식

[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:19]([CH3:20])[O:21][CH2:22][C:23]3([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:24][CH2:25][N:26]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:27][CH2:28]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:7][cH:8]1.[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:19]([CH3:20])[O:21][CH2:22][C:23]3([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:7][cH:8]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 58993681(+/-)-tert-Butyl 4-((1-(4'-cyano-5-(trifluoromethyl)biphenyl-3-yl)ethoxy)methyl)-4-phenylpiperidine-1-carboxylate

생성물 1

HCID 24785981(+/-)-3'-(1-((4-Phenylpiperidin-4-yl)methoxy)ethyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile

출처 및 근거

ORD 기록: ord-cf40d8cb80c942dab91f4520ebb9bfd6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…