Ammonium → 4,6,6-Trimethylheptan-2-one

HRID 198481

Reaction equation

HRID 198481 reaction equation
[CH3:14][CH2:15][O:16][CH2:17][CH3:18].[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH2:7][C:8]([CH3:9])([CH3:10])[CH3:11].[Cl-:12].[NH4+:13]>>[CH3:1][CH:2]([CH2:3][C:4](=[O:6])[CH3:14])[CH2:7][C:8]([CH3:9])([CH3:10])[CH3:11]

Participants

5

Reactant 4

HCID 223AmmoniumHCID 312ChlorideHCID 3283Diethyl EtherHCID 909603,5,5-Trimethylhexanoic acid

Product 1

HCID 30161694,6,6-Trimethylheptan-2-one

Sources & evidence

ORD record
ord-53bd4a87a1704171908a01a23ba7c9a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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