Hydrochloric Acid → 2-[6-[[3-[4-(2-Ethylsulfanylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

HRID 1209735Notes

Reaction equation

HRID 1209735 reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:36])[cH:25][c:26]([O:30][CH2:31][CH2:32][S:33][CH2:34][CH3:35])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2.[CH3:37][OH:38].[ClH:41].[Na+:40].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:39].[OH2:42]>>[CH2:2]([C:3](=[O:4])[OH:5])[CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:15][CH2:16][c:17]1[cH:18][c:19](-[c:23]3[c:24]([CH3:36])[cH:25][c:26]([O:30][CH2:31][CH2:32][S:33][CH2:34][CH3:35])[cH:27][c:28]3[CH3:29])[cH:20][cH:21][cH:22]1)[cH:14]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 178477446HCID 178477446, compound

Product 1

HCID 722596152-[6-[[3-[4-(2-Ethylsulfanylethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Sources & evidence

ORD record
ord-0ce6f7df8dfd41c18464ba4af65e87b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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