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Ethylene Glycol → 2-(1,1-Dimethylethyl)-2-(4-carboxyphenyl)-1,3-dioxolane

HRID 1208265
노트
인쇄 미리보기

반응식

HRID 1208265 반응식
[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]1)([CH3:14])[CH3:15].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH:16][CH2:17][CH2:18][OH:19].[c:20]1([CH3:21])[c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][C:2]([C:3]1([c:5]2[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]2)[O:4][CH2:18][CH2:17][O:16]1)([CH3:14])[CH3:15]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 174Ethylene GlycolHCID 1140TolueneHCID 69252-Methylbenzenesulfonic acidHCID 119589814-(2,2-Dimethyl-1-oxopropyl)benzoic acid

생성물 1

HCID 152328382-(1,1-Dimethylethyl)-2-(4-carboxyphenyl)-1,3-dioxolane

출처 및 근거

ORD 기록
ord-d5660ab4379246b1843ee41c8a14f736
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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