Ethanol → 3-(3,4-Dimethoxyphenyl)-7-[2-hydroxy-3-(piperazin-1-yl)propoxy]-4H-chromen-4-one

반응식

[CH2:27]1[CH2:28][NH:29][CH2:30][CH2:31][NH:32]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]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].[CH3:33][CH2:34][OH:35]>>[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][N:29]4[CH2:28][CH2:27][NH:32][CH2:31][CH2:30]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 4837Piperazine

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

생성물 1

HCID 578301103-(3,4-Dimethoxyphenyl)-7-[2-hydroxy-3-(piperazin-1-yl)propoxy]-4H-chromen-4-one

출처 및 근거

ORD 기록: ord-eb87f33f43c04c7fb4356acd3812f5cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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