Acetic Acid → 3-(2,6-Dimethoxyphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

반응식

[C:34]([OH:35])(=[O:36])[CH3:37].[CH3:1][O:2][c:3]1[c:4](-[n:11]2[c:12]([CH3:22])[n:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[c:20]2=[O:21])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[OH:23][c:24]1[c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30][c:31]1[O:32][CH3:33]>>[CH3:1][O:2][c:3]1[c:4](-[n:11]2[c:12]([CH:22]=[CH:26][c:25]3[c:24]([OH:23])[c:31]([O:32][CH3:33])[cH:30][cH:29][cH:28]3)[n:13][c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[c:20]2=[O:21])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 8991o-Vanillin

HCID 6265293-(2,6-Dimethoxyphenyl)-2-methyl-4(3H)-quinazolinone

생성물 1

HCID 1366502593-(2,6-Dimethoxyphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one

출처 및 근거

ORD 기록: ord-f5e73855b7e847eba9fc8ee14d342019
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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