Acetic Acid → 3-(4-[3,5,6-Trimethyl-1,4-benzoquinon-2-yl-(3-pyridyl)methyl]phenyl)propionic acid

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 571128964-[3,5,6-Trimethyl-1,4-benzoquinon-2-yl(3-pyridyl)methyl]-alpha-methylcinnamic acid

생성물 1

HCID 142777693-(4-[3,5,6-Trimethyl-1,4-benzoquinon-2-yl-(3-pyridyl)methyl]phenyl)propionic acid

출처 및 근거

ORD 기록: ord-128ab56c51ac4b4199905cf0dfa73c09
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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