Hexane → HCID 9877656, compound

HRID 2152304Notes

Reaction equation

HRID 2152304 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[CH:16]1([C:22]#[CH:23])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[Cu:42][I:43].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[c:2]1([C:23]#[C:22][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]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 792052-Bromo-6-methylpyridine

Product 1

HCID 9877656HCID 9877656, compound

Sources & evidence

ORD record
ord-24114a2c94504868ab1dfd1a55da4127
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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