Ethylene Glycol → 3-(4-methoxyphenyl)sulfanylbenzoic Acid

HRID 1227168Notes

Reaction equation

HRID 1227168 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([SH:29])[cH:27][cH:28]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][CH:39]([OH:40])[CH3:41].[ClH:30].[I:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16]1.[K+:5].[K+:6].[OH2:31].[OH:17][CH2:18][CH2:19][OH:20]>>[c:8]1([S:29][c:26]2[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:28][cH:27]2)[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16]1

Participants

10

Reactant 9

HCID 174Ethylene GlycolHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 120603-Iodobenzoic acidHCID 127654-MethoxybenzenethiolHCID 19660Carbonate Ion

Product 1

HCID 112424193-(4-methoxyphenyl)sulfanylbenzoic Acid

Sources & evidence

ORD record
ord-2f712c1e943442c785815ddc2a19e38c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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