Acetic Acid → HCID 14640309, compound

HRID 1558356Notes

Reaction equation

HRID 1558356 reaction equation
[CH2:12]([CH2:13][CH2:14][CH3:15])[C:16]([CH:17]=[O:18])=[CH2:19].[CH3:20][C:21](=[O:22])[OH:23].[Na+:1].[OH2:24].[c:2]1([CH3:11])[cH:3][cH:4][c:5]([S:8](=[O:9])[O-:10])[cH:6][cH:7]1>>[c:2]1([CH3:11])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH2:19][CH:16]([CH2:12][CH2:13][CH2:14][CH3:15])[CH:17]=[O:18])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 706122-MethylenehexanalHCID 2772964-Methylbenzene-1-sulfinate

Product 1

HCID 14640309HCID 14640309, compound

Sources & evidence

ORD record
ord-60ec3dcad73a4dc69a03e8f79ba5a7b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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