Sodium ion → 5-Hydroxyisophthalic acid

HRID 320392Notes

Reaction equation

HRID 320392 reaction equation
[Na+:17].[Na+:18].[Na+:19].[Na+:21].[OH-:20].[OH2:38].[S:1]([OH:2])(=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:14](=[O:15])[O-:16])[cH:8][c:9]([C:10](=[O:11])[O-:12])[cH:13]1.[c:22]1([CH:23]([c:24]2[cH:25][cH:26][cH:27][c:28]([CH3:29])[c:30]2[CH3:31])[CH3:32])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:5]1([OH:20])[cH:6][c:7]([C:14](=[O:15])[OH:16])[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13]1

Participants

6

Reactant 5

HCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 3033855Dimethyl(1-phenylethyl)benzeneHCID 21226410HCID 21226410, compound

Product 1

HCID 692575-Hydroxyisophthalic acid

Sources & evidence

ORD record
ord-069e8594cdc045f5accadb9b7bec5bbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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