Sodium ion → 1-Methyl-5-(4-methylphenyl)-1H-pyrazole

HRID 671582Notes

Reaction equation

HRID 671582 reaction equation
[Br:10][c:11]1[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]1.[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[B:7]([OH:8])[OH:9].[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[Na+:18].[Na+:19].[O-:20][C:21](=[O:22])[O-:23].[OH2:24].[Pd:31]([Cl:32])[Cl:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1-[c:11]1[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 78054-BromotolueneHCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 11182610(1-methyl-1H-pyrazol-5-yl)boronic acid

Product 1

HCID 125810901-Methyl-5-(4-methylphenyl)-1H-pyrazole

Sources & evidence

ORD record
ord-1a0d5a41bdfe42eca68786d39df959a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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