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Potassium Cation → 2-[6-[[3-[4-(2-Ethylsulfonylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

HRID 666003
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HRID 666003 반응식
[CH2:1]([CH3:2])[S:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:35])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]4[c:25]([cH:33][cH:34]3)[CH:26]([CH2:29][C:30](=[O:31])[OH:32])[CH2:27][O:28]4)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1.[CH3:45][OH:46].[K+:42].[K+:43].[OH2:44].[S:36](=[O:37])([O:38][O-:39])([O-:40])=[O:41]>>[CH2:1]([CH3:2])[S:3]([CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:35])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]4[c:25]([cH:33][cH:34]3)[CH:26]([CH2:29][C:30](=[O:31])[OH:32])[CH2:27][O:28]4)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1)(=[O:37])=[O:44]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 887MethanolHCID 962WaterHCID 159922PeroxymonosulfateHCID 722596152-[6-[[3-[4-(2-Ethylsulfanylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

생성물 1

HCID 66792352
2-[6-[[3-[4-(2-Ethylsulfonylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

출처 및 근거

ORD 기록
ord-23318b0991804a7dbc2ffb2a7459cac6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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