4-(4'-Hydroxyphenyl)-2-butanone → 4-[(2-{[4-(3-Oxobutyl)phenyl]oxy}ethyl)(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

반응식

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

참가 물질

반응물 2

HCID 216484-(4'-Hydroxyphenyl)-2-butanone

HCID 866237314-[(2-Hydroxyethyl)(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

생성물 1

HCID 115687774-[(2-{[4-(3-Oxobutyl)phenyl]oxy}ethyl)(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

출처 및 근거

ORD 기록: ord-01db6978b4954f8ea180cc33f9e9faf4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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