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

HRID 666017Notes

Reaction equation

HRID 666017 reaction equation
[C:13](#[CH:14])[c:15]1[cH:16][n:17][n:18]([CH3:20])[cH:19]1.[CH3:1][O:2][c:3]1[c:4]([I:12])[cH:5][cH:6][c:7]([O:10][CH3:11])[c:8]1[F:9].[CH3:21][C:22]#[N:23].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cu:65][I:66].[Pd:24]([Cl:25])[Cl:26].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH3:1][O:2][c:3]1[c:4]([C:14]#[C:13][c:15]2[cH:16][n:17][n:18]([CH3:20])[cH:19]2)[cH:5][cH:6][c:7]([O:10][CH3:11])[c:8]1[F:9]

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 50998228HCID 50998228, compoundHCID 511383214-Ethynyl-1-methyl-1H-pyrazole

Product 1

HCID 687686434-(2,4-Dimethoxy-3-fluoro-phenylethynyl)-1-methyl-1H-pyrazole

Sources & evidence

ORD record
ord-403d2d13b4e246e2b36e081b18aa4b04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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