Dimethylformamide → 2-(3-isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile

HRID 1130284Notes

Reaction equation

HRID 1130284 reaction equation
[C:14](=[O:15])([O-:16])[O-:17].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:13])[nH:6][c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Cl:20][CH2:21][c:22]1[n:23][c:24]2[c:25]([n:26]1[CH2:27][CH2:28][CH:29]([CH3:30])[CH3:31])[cH:32][cH:33][c:34]([C:36]#[N:37])[cH:35]2.[Cs+:18].[Cs+:19].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:13])[n:6]([CH2:21][c:22]2[n:23][c:24]3[c:25]([n:26]2[CH2:27][CH2:28][CH:29]([CH3:30])[CH3:31])[cH:32][cH:33][c:34]([C:36]#[N:37])[cH:35]3)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 16535801-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-oneHCID 223493092-(Chloromethyl)-1-isopentyl-benzimidazole-5-carbonitrile

Product 1

HCID 223493242-(3-isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile

Sources & evidence

ORD record
ord-734059f4e244449986c8f15a3f572db3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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