Acetonitrile → 4-[(4-Hexylphenyl)ethynyl]aniline

HRID 125730Notes

Reaction equation

HRID 125730 reaction equation
[C:9](#[CH:10])[c:11]1[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:15][cH:16]1.[CH3:23][C:24]#[N:25].[Cu:26][I:27].[I:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1([C:10]#[C:9][c:11]2[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[cH:15][cH:16]2)[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 108934-IodoanilineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27751291-Ethynyl-4-hexylbenzene

Product 1

HCID 575545514-[(4-Hexylphenyl)ethynyl]aniline

Sources & evidence

ORD record
ord-fb755b5cbe5c4eb2b03595524dc0be97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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