Trifluoroacetic acid → Trans {1-[2-(4-Amino-cyclohexyl)-ethyl]-piperidin-4-yl}-(2,4-dichloro-phenyl)-methanone

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 66628199Trans (4-{2-[4-(2,4-Dichloro-benzoyl)-piperidin-1-yl]-ethyl}-cyclohexyl)-carbamic acid tert-butyl ester

생성물 1

HCID 66627193Trans {1-[2-(4-Amino-cyclohexyl)-ethyl]-piperidin-4-yl}-(2,4-dichloro-phenyl)-methanone

출처 및 근거

ORD 기록: ord-cc1ca71d1d0c4128b6dd90ed46669b97
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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