Sodium ion → 2-(3-Isopropenyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile

HRID 1228104Notes

Reaction equation

HRID 1228104 reaction equation
[C:49]([n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[nH:57][c:58]1=[O:59])([CH3:60])=[CH2:61].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5](=[O:30])[n:6]([CH2:13][c:14]2[n:15][c:16]3[c:17]([n:18]2[CH2:19][CH2:20][CH:21]([CH3:22])[CH3:23])[cH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]3)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2.[Cl:31][CH2:32][c:33]1[n:34]([CH2:35][CH2:36][CH:37]([CH3:38])[CH3:39])[c:40]2[cH:41][cH:42][c:43]([C:44]#[N:45])[cH:46][c:47]2[n:48]1.[H-:63].[Na+:62]>>[C:1](=[CH2:2])([CH3:3])[n:4]1[c:5](=[O:30])[n:6]([CH2:13][c:14]2[n:15][c:16]3[c:17]([n:18]2[CH2:19][CH2:20][CH:21]([CH3:22])[CH3:23])[cH:24][cH:25][c:26]([C:28]#[N:29])[cH:27]3)[c:7]2[c:8]1[cH:9][cH:10][cH:11][cH:12]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1002781,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-oneHCID 166653HydrideHCID 223493092-(Chloromethyl)-1-isopentyl-benzimidazole-5-carbonitrileHCID 223493242-(3-isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile

Product 1

HCID 223492872-(3-Isopropenyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile

Sources & evidence

ORD record
ord-895ec9aae0c147d29c84b4cdb0cdb404
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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