Diethylamine → 4-(2,4-Dimethoxyphenyl)-but-3-yn-1-ol

Reaction equation

[Br:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[CH2:31]([CH2:32][C:33]#[CH:34])[OH:35].[CH2:36]([NH:37][CH2:38][CH3:39])[CH3:40].[Cu:44][I:45].[Pd:41]([Cl:42])[Cl:43].[c:12]1([P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1([C:34]#[C:33][CH2:32][CH2:31][OH:35])[c:3]([O:10][CH3:11])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

Reactant 6

HCID 8021Diethylamine

HCID 11776Triphenylphosphine

HCID 135663-Butyn-1-OL

HCID 24290Palladium Chloride

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

HCID 872661-Bromo-2,4-dimethoxybenzene

Product 1

HCID 22566127

Sources & evidence

ORD record: ord-4df4d0c0704744c38a4c35bf0abce499
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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