Acetic Acid → 3,5-Dimethylpyridin-1-ium-1-olate

HRID 676003Notes

Reaction equation

HRID 676003 reaction equation
[C:13]([O:14][OH:15])(=[O:16])[CH3:17].[CH3:1][C:2]([OH:3])=[O:4].[CH3:5][c:6]1[cH:7][n:8][cH:9][c:10]([CH3:12])[cH:11]1.[Na+:22].[Na+:23].[OH2:24].[S:18]([O-:19])([O-:20])=[O:21]>>[O-:3][n+:8]1[cH:7][c:6]([CH3:5])[cH:11][c:10]([CH3:12])[cH:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 6585Peracetic AcidHCID 115653,5-Dimethylpyridine

Product 1

HCID 194853,5-Dimethylpyridin-1-ium-1-olate

Sources & evidence

ORD record
ord-fa45e308babf460c8c85b520a3009823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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