Dimethyl Sulfoxide → 1-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole-5-carbonitrile

HRID 147495Notes

Reaction equation

HRID 147495 reaction equation
[CH3:34][S:35](=[O:36])[CH3:37].[Cu:23][C:24]#[N:25].[N:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6](-[c:10]3[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]3)[c:7](=[O:9])[nH:8]2)[c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1.[OH2:33]>>[c:2]1([C:24]#[N:25])[cH:3][c:4]2[c:5]([n:6](-[c:10]3[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]3)[c:7](=[O:9])[nH:8]2)[c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 10906Tert-Butyl nitriteHCID 223273615-Amino-1-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydro-2H-benzimidazole-2-oneHCID 178418546HCID 178418546, compound

Product 1

HCID 223273971-(2-chlorophenyl)-2-oxo-7-(trifluoromethyl)-2,3-dihydro-1H-benzimidazole-5-carbonitrile

Sources & evidence

ORD record
ord-4ce5f779e887489f90e90adcbff671aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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