Acetate → 2,3-difluoro-5-(1-methyl-1H-pyrazol-4-yl)pyridine

HRID 2332396Notes

Reaction equation

HRID 2332396 reaction equation
[CH3:10][n:11]1[n:12][cH:13][c:14]([B:16]2[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]2)[cH:15]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[cH:3][c:4]([F:9])[c:5]([F:8])[n:6][cH:7]1.[N:31]#[N:32].[O-:34][C:35]([CH3:36])=[O:37].[O-:38][C:39]([CH3:40])=[O:41].[O:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[OH2:48].[Pd+2:33]>>[c:2]1(-[c:14]2[cH:13][n:12][n:11]([CH3:10])[cH:15]2)[cH:3][c:4]([F:9])[c:5]([F:8])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 947NitrogenHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 27832485-Chloro-2,3-difluoropyridine

Product 1

HCID 576913652,3-difluoro-5-(1-methyl-1H-pyrazol-4-yl)pyridine

Sources & evidence

ORD record
ord-5286263292e244638f743af3520b4071
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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