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

HRID 2315013Notes

Reaction equation

HRID 2315013 reaction equation
[CH2:9]([C:10]#[CH:11])[OH:12].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25].[CH:26]([Cl:27])([Cl:28])[Cl:29].[Cl:1][c:2]1[cH:3][cH:4][c:5]([I:8])[cH:6][cH:7]1.[Cu:71][I:72].[Pd:30]([Cl:31])[Cl:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:11]#[C:10][CH2:9][OH:12])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 6212ChloroformHCID 7859Propargyl alcoholHCID 8058HexaneHCID 8471TriethylamineHCID 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-3013adbf7b2a43e78b04fb3d6774906a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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