Ethanol → 2,2,2-trifluoro-1-[1-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 181724231-[1-(4-Benzyloxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone

생성물 1

HCID 120859392,2,2-trifluoro-1-[1-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

출처 및 근거

ORD 기록: ord-403dfcf13930483d9af0046776488188
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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