Acetate → N-(2,6-dimethyl-4-{3,5-dimethylphenyl}phenyl)-2-(4-fluoro phenyl)imidazole

HRID 208894Notes

Reaction equation

HRID 208894 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:21])[c:5](-[n:9]2[c:10](-[c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]3)[n:11][cH:12][cH:13]2)[c:6]([CH3:8])[cH:7]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:22][c:23]1[cH:24][c:25]([B:30]([OH:31])[OH:32])[cH:26][c:27]([CH3:29])[cH:28]1.[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[K+:37].[K+:38].[O-:65][C:66]([CH3:67])=[O:68].[O-:69][C:70]([CH3:71])=[O:72].[OH2:73].[Pd+2:64].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[c:2]1(-[c:25]2[cH:24][c:23]([CH3:22])[cH:28][c:27]([CH3:29])[cH:26]2)[cH:3][c:4]([CH3:21])[c:5](-[n:9]2[c:10](-[c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]3)[n:11][cH:12][cH:13]2)[c:6]([CH3:8])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343493,5-Dimethylphenylboronic acidHCID 68802622N-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole

Product 1

HCID 58750732N-(2,6-dimethyl-4-{3,5-dimethylphenyl}phenyl)-2-(4-fluoro phenyl)imidazole

Sources & evidence

ORD record
ord-ae1ce47b81aa457c99b856688cc78c4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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