Hexane → 2-(3-Cyclohexyl-1-propynyl)-1,3-thiazole

HRID 117610Notes

Reaction equation

HRID 117610 reaction equation
[Br:1][c:2]1[s:3][cH:4][cH:5][n:6]1.[CH3:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].[CH3:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[CH:14]1([CH2:20][C:21]#[CH:22])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cu:35][I:36].[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:2]1([C:22]#[C:21][CH2:20][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[s:3][cH:4][cH:5][n:6]1

Participants

10

Reactant 9

HCID 8058HexaneHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 764302-BromothiazoleHCID 87265(Prop-2-yn-1-yl)cyclohexane

Product 1

HCID 98558042-(3-Cyclohexyl-1-propynyl)-1,3-thiazole

Sources & evidence

ORD record
ord-f53f71e6e474412895366a59a3e96ce4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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