Hexane → HCID 9877656, compound

HRID 157550Notes

Reaction equation

HRID 157550 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[CH3:23][O:24][CH2:25][CH2:26][O:27][CH3:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH:9]1([C:15]#[CH:16])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[Pd:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([C:16]#[C:15][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 8058HexaneHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 70263EthynylcyclohexaneHCID 792052-Bromo-6-methylpyridine

Product 1

HCID 9877656HCID 9877656, compound

Sources & evidence

ORD record
ord-d8facb64bfb5478989704d8ae53b8c17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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