Dimethyl Sulfoxide → 2-(2-Chloro-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (4'-acetylamino-biphenyl-4-yl)-amide

HRID 693170Notes

Reaction equation

HRID 693170 reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]2[cH:25][c:26]([C:36]([F:37])([F:38])[F:39])[n:27][n:28]2-[c:29]2[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]2)[cH:19][cH:20]1.[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[CH3:40][CH2:41][OH:42].[CH3:43][S:44]([CH3:45])=[O:46]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8](-[c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]3[cH:25][c:26]([C:36]([F:37])([F:38])[F:39])[n:27][n:28]3-[c:29]3[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]3)[cH:19][cH:20]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 702EthanolHCID 27346574-Acetamidophenylboronic acidHCID 59240027N-(4-bromophenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Product 1

HCID 592401972-(2-Chloro-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (4'-acetylamino-biphenyl-4-yl)-amide

Sources & evidence

ORD record
ord-10598c45991f47a099d9637fb5ffc807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…