4-Formylbenzoic acid → 4-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-(2-methylpropoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid

HRID 1541120

반응식

HRID 1541120 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:23]([CH3:24])=[O:25])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15].[C:26](=[O:27])([OH:28])[c:29]1[cH:30][cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:23]([CH:24]=[CH:33][c:32]2[cH:31][cH:30][c:29]([C:26](=[O:27])[OH:28])[cH:36][cH:35]2)=[O:25])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15]

참가 물질

3

반응물 2

HCID 120884-Formylbenzoic acidHCID 120848241-(5-tert-Butyl-6-isobutoxy-4'-methyl-3-biphenylyl)ethanone

생성물 1

HCID 670207454-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-(2-methylpropoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid

출처 및 근거

ORD 기록
ord-5356eba31e4b4222bacd7524355842ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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