Chloroacetaldehyde → 1,2-Butanediol

HRID 1215220Notes

Reaction equation

HRID 1215220 reaction equation
[CH2:12]([CH:13]([CH2:14][CH3:15])[OH:16])[OH:17].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[OH:9].[Cl:18][CH2:19][CH:20]=[O:21].[Na+:11].[OH-:10].[OH2:22]>>[CH2:12]([CH:13]([CH2:14][CH3:15])[OH:16])[OH:17].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][CH2:19][CH:20]=[O:21]

Participants

8

Reactant 6

HCID 33ChloroacetaldehydeHCID 923Sodium ionHCID 9571-OctanolHCID 961HydroxideHCID 962WaterHCID 114291,2-Butanediol

Product 2

HCID 114291,2-ButanediolHCID 104512Acetaldehyde, (octyloxy)-

Sources & evidence

ORD record
ord-be40e01b169c49e8b22a9f93eb463c9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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