Ethanol → 7-[3-(Cyclohexylamino)-2-hydroxypropoxy]-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 7965Cyclohexylamine

HCID 442271773-(3,4-Dimethoxyphenyl)-7-(oxiran-2-ylmethoxy)-4H-chromen-4-one

생성물 1

HCID 442271787-[3-(Cyclohexylamino)-2-hydroxypropoxy]-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one

출처 및 근거

ORD 기록: ord-84089584ddb44a098e581ef661910527
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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