Ammonium → Methyl 2-acetyl-3-methyl-3-phenylbutanoate

Reaction equation

[Br-:1].[C:9]([CH3:10])(=[O:11])[C:12]([C:13](=[O:14])[O:15][CH3:16])=[C:17]([CH3:18])[CH3:19].[CH3:22][CH2:23][O:24][CH2:25][CH3:26].[Cl-:20].[Cu:27][I:28].[NH4+:21].[c:2]1([Mg+:8])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:17]([CH:12]([C:9]([CH3:10])=[O:11])[C:13](=[O:14])[O:15][CH3:16])([CH3:18])[CH3:19])[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

Reactant 7

HCID 223Ammonium

HCID 259Bromide ion

HCID 312Chloride

HCID 3283Diethyl Ether

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 12576903Methyl 2-acetyl-3-methylbut-2-enoate

HCID 178507002HCID 178507002, compound

Product 1

HCID 86659735Methyl 2-acetyl-3-methyl-3-phenylbutanoate

Sources & evidence

ORD record: ord-001f5457280240309f64d4c3855fbfb6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…