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Hydrogen Peroxide → 3-(4-Hydroxyphenyl)-2-(4-isopropylphenoxy)propionic acid

HRID 157014
노트
인쇄 미리보기

반응식

HRID 157014 반응식
[CH2:5]([CH:6]1[CH2:7][O:8][C:9](=[O:10])[N:11]1[C:18]([CH:19]([CH2:20][c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1)[O:28][c:29]1[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)=[O:38])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH3:47][OH:48].[Li+:1].[Na+:45].[Na+:46].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:2].[OH2:54].[OH:3][OH:4].[S:39](=[O:40])([S:41]([O-:42])=[O:43])[O-:44]>>[C:18]([CH:19]([CH2:20][c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1)[O:28][c:29]1[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]1)([OH:38])=[O:40]
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 784Hydrogen PeroxideHCID 887MethanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 1086DithioniteHCID 8028TetrahydrofuranHCID 28486Lithium Cation
HCID 18625849
4-Benzyl-3-[3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoyl]-1,3-oxazolidin-2-one

생성물 1

HCID 186256923-(4-Hydroxyphenyl)-2-(4-isopropylphenoxy)propionic acid

출처 및 근거

ORD 기록
ord-eae63d61a2fc48ed9c61820bdaaba5a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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