Ethanol → 2-(Aminomethyl)-1,1,1-trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-pentanol

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 576159391,1,1-Trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-{[(phenylmethyl)amino]methyl}-2-pentanol

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 179365862-(Aminomethyl)-1,1,1-trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-pentanol

출처 및 근거

ORD 기록: ord-b3a9b3954ab44ccd89ede429fdf856d7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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