Acetonitrile → 4-(2,4-Dimethoxy-3-nitro-phenylethynyl)-1-methyl-1H-pyrazole

HRID 2133421Notes

Reaction equation

HRID 2133421 reaction equation
[C:15](#[CH:16])[c:17]1[cH:18][n:19][n:20]([CH3:22])[cH:21]1.[CH3:1][O:2][c:3]1[c:4]([I:14])[cH:5][cH:6][c:7]([O:12][CH3:13])[c:8]1[N+:9](=[O:10])[O-:11].[CH3:23][C:24]#[N:25].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[Cu:67][I:68].[Pd:26]([Cl:27])[Cl:28].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][O:2][c:3]1[c:4]([C:16]#[C:15][c:17]2[cH:18][n:19][n:20]([CH3:22])[cH:21]2)[cH:5][cH:6][c:7]([O:12][CH3:13])[c:8]1[N+:9](=[O:10])[O-:11]

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 511383214-Ethynyl-1-methyl-1H-pyrazoleHCID 574219462,4-Dimethoxy-3-nitro-iodobenzene

Product 1

HCID 687741874-(2,4-Dimethoxy-3-nitro-phenylethynyl)-1-methyl-1H-pyrazole

Sources & evidence

ORD record
ord-03882ae3705a415692576a16ceb87ed9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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