Propargyl alcohol → 3-(4-Chlorophenyl)prop-2-yn-1-ol

HRID 306016Notes

Reaction equation

HRID 306016 reaction equation
[CH2:56]([NH:57][CH2:58][CH3:59])[CH3:60].[CH2:9]([C:10]#[CH:11])[OH:12].[Cu:54][I:55].[I:1][c:2]1[cH:3][cH:4][c:5]([Cl:8])[cH:6][cH:7]1.[Pd:13]([Cl:14])[Cl:15].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[c:2]1([C:11]#[C:10][CH2:9][OH:12])[cH:3][cH:4][c:5]([Cl:8])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 7859Propargyl alcoholHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 125101-Chloro-4-iodobenzeneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 41117183-(4-Chlorophenyl)prop-2-yn-1-ol

Sources & evidence

ORD record
ord-44d0da7df1794ca98e3820fa2c408a7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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