tert-Butyl 2-bromo-2-methylpropionate → 4-[3-(4-Heptylphenyl)-3-oxoprop-1-enyl]-3-methoxy-2,4,5,6-tetramethylcyclohexa-1,5-diene-1-carboxylic acid

반응식

[Br:37][C:38]([CH3:39])([CH3:40])[C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[c:8]1[cH:9][cH:10][c:11]([C:14]([CH:15]=[CH:16][C:17]2([CH3:35])[CH:18]([O:33][CH3:34])[C:19]([CH3:32])=[C:20]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:21]([CH3:24])=[C:22]2[CH3:23])=[O:36])[cH:12][cH:13]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[c:8]1[cH:9][cH:10][c:11]([C:14]([CH:15]=[CH:16][C:17]2([CH3:35])[CH:18]([O:33][CH3:34])[C:19]([CH3:32])=[C:20]([C:25](=[O:26])[OH:27])[C:21]([CH3:24])=[C:22]2[CH3:23])=[O:36])[cH:12][cH:13]1

참가 물질

반응물 2

HCID 90290tert-Butyl 2-bromo-2-methylpropionate

HCID 66704535Tert-butyl 4-[3-(4-heptylphenyl)-3-oxoprop-1-enyl]-3-methoxy-2,4,5,6-tetramethylcyclohexa-1,5-diene-1-carboxylate

생성물 1

HCID 667043274-[3-(4-Heptylphenyl)-3-oxoprop-1-enyl]-3-methoxy-2,4,5,6-tetramethylcyclohexa-1,5-diene-1-carboxylic acid

출처 및 근거

ORD 기록: ord-49f5d52c288c43a89c12a0321d329790
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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