Sodium ion → 2,2-Dimethylchroman-6-carboxylic acid

HRID 93322Notes

Reaction equation

HRID 93322 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[O:10][C:9]([CH3:14])([CH3:15])[CH2:8][CH2:7]2.[Cl:18][O-:19].[Cl:38][C:39]([Cl:40])([Cl:41])[Cl:42].[Na+:17].[Na+:20].[Na+:25].[Na+:26].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH-:16].[S:21](=[O:22])([O-:23])[O-:24].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[C:1]([OH:3])([c:4]1[cH:5][c:6]2[c:11]([cH:12][cH:13]1)[O:10][C:9]([CH3:14])([CH3:15])[CH2:8][CH2:7]2)=[O:22]

Participants

9

Reactant 8

HCID 923Sodium ion4×HCID 961HydroxideHCID 1099SulfiteHCID 1118Sulfuric AcidHCID 5943Carbon TetrachlorideHCID 312751,4-DioxaneHCID 61739HypochloriteHCID 1820772,2-Dimethyl-6-acetylchroman

Product 1

HCID 2220642,2-Dimethylchroman-6-carboxylic acid

Sources & evidence

ORD record
ord-a0d7308347a04224add4896490ea9649
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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