Acetate → 1-phenyl-5-pyridin-4-yl-1H-benzoimidazole

HRID 2322432Notes

Reaction equation

HRID 2322432 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[cH:7][n:8]2)[cH:15][cH:16]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[OH2:51].[Pd+2:52].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[n:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1>>[c:2]1(-[c:20]2[cH:19][cH:18][n:17][cH:22][cH:21]2)[cH:3][c:4]2[c:5]([n:6](-[c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[cH:7][n:8]2)[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 962WaterHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734379(Pyridin-4-yl)boronic acidHCID 120181715-Bromo-1-phenyl-1H-benzoimidazole

Product 1

HCID 184142461-phenyl-5-pyridin-4-yl-1H-benzoimidazole

Sources & evidence

ORD record
ord-25d51c1f44e54271956c732901350e74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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