Hexane → HCID 23500885, compound

HRID 100484Notes

Reaction equation

HRID 100484 reaction equation
[Br:1][c:2]1[s:3][cH:4][cH:5][n:6]1.[CH3:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[CH:14]1([C:20]#[CH:21])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cu:34][I:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:21]#[C: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 70263EthynylcyclohexaneHCID 764302-Bromothiazole

Product 1

HCID 23500885HCID 23500885, compound

Sources & evidence

ORD record
ord-4e06f94a727a4957984e26b1e4325099
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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