Acetic Acid → 2,3-dihydro-4,6-dimethyl-7-hydroxy-2-(4-methoxybenzyl)-1H-inden-1-one

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 8857Ethyl Acetate

HCID 544635462,3-dihydro-4,6-dimethyl-7-hydroxy-2-(4-methoxybenzylidene)-1H-inden-1-one

생성물 1

HCID 148347332,3-dihydro-4,6-dimethyl-7-hydroxy-2-(4-methoxybenzyl)-1H-inden-1-one

출처 및 근거

ORD 기록: ord-5091585727bc432dab65a8f40a52067a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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