Ethanol → 1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(1-phenylethylamino)methyl]pentan-2-ol

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 74081-Phenethylamine

HCID 160992392-[2-(5-Fluoro-2-methoxyphenyl)-2-methylpropyl]-2-trifluoromethyloxirane

생성물 1

HCID 731994181,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(1-phenylethylamino)methyl]pentan-2-ol

출처 및 근거

ORD 기록: ord-cde586e32ad74672b51c0b4a0cd9fe8f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…