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Ethanol → 2'-Carboxymethoxy-4-n-heptyl-4'-(3-methyl-2-butenyloxy)chalcone

HRID 1142613
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반응식

HRID 1142613 반응식
[C:1](=[O:2])([OH:3])[CH2:4][O:5][c:6]1[c:7]([C:18]([CH3:19])=[O:20])[cH:8][cH:9][c:10]([O:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[cH:11]1.[CH2:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[c:28]1[cH:29][cH:30][c:31]([CH:32]=[O:33])[cH:34][cH:35]1.[CH3:38][CH2:39][OH:40].[K+:37].[OH-:36]>>[C:1](=[O:2])([OH:3])[CH2:4][O:5][c:6]1[c:7]([C:18]([CH:19]=[CH:32][c:31]2[cH:30][cH:29][c:28]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:35][cH:34]2)=[O:20])[cH:8][cH:9][c:10]([O:12][CH2:13][CH:14]=[C:15]([CH3:16])[CH3:17])[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 109216344-HeptylbenzaldehydeHCID 13247580{2-Acetyl-5-[(3-methylbut-2-en-1-yl)oxy]phenoxy}acetic acid

생성물 1

HCID 537314392'-Carboxymethoxy-4-n-heptyl-4'-(3-methyl-2-butenyloxy)chalcone

출처 및 근거

ORD 기록
ord-e7d09e4d9c5b4009acf1db852963d376
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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