Acetic Acid → 2,2-Dimethyl-5-nitro-1,3-dioxane

HRID 103646Notes

Reaction equation

HRID 103646 reaction equation
[CH3:16][C:17](=[O:18])[OH:19].[CH3:1][C:2]1([CH3:13])[O:3][CH2:4][C:5]([N+:8](=[O:9])[O-:10])([CH2:11][OH:12])[CH2:6][O:7]1.[Na+:15].[OH-:14]>>[CH3:1][C:2]1([CH3:13])[O:3][CH2:4][CH:5]([N+:8](=[O:9])[O-:10])[CH2:6][O:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 300859(2,2-Dimethyl-5-nitro-1,3-dioxan-5-yl)methanol

Product 1

HCID 108774282,2-Dimethyl-5-nitro-1,3-dioxane

Sources & evidence

ORD record
ord-6fac90e35b6744b8a3ba23dc52cba19e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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