Potassium Cation → N-(4-ethynyl-2-nitro-phenyl)-N,N',N'-trimethyl-propane-1,3-diamine

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([N:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[CH3:15])[cH:6][cH:7]1.[CH3:25][Si:26]([C:27]#[CH:28])([CH3:29])[CH3:30].[CH3:37][OH:38].[Cu:39][I:40].[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[O:19]1[CH2:20][CH2:21][O:24][CH2:23][CH2:22]1>>[c:2]1([C:20]#[CH:21])[cH:3][c:4]([N+:16](=[O:17])[O-:18])[c:5]([N:8]([CH2:9][CH2:10][CH2:11][N:12]([CH3:13])[CH3:14])[CH3:15])[cH:6][cH:7]1

Participants

Reactant 7

HCID 813Potassium Cation2×

HCID 887Methanol

HCID 19660Carbonate Ion

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

HCID 312751,4-Dioxane

HCID 66111Trimethylsilylacetylene

HCID 16109013HCID 16109013, compound

Product 1

Sources & evidence

ORD record: ord-527b0f55cf564e068b3f4081a76bbad0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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