Acetate → 4-(2-methyl-1H-benzimidazol-1-yl)benzonitrile

HRID 1204934Notes

Reaction equation

HRID 1204934 reaction equation
[C-:1]#[N:2].[CH3:21][N:22]1[CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[C:28]1=[O:29].[Cu:39].[I:3][c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11]([CH3:19])[n:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:8][cH:9]1.[NH3:20].[O-:31][C:32]([CH3:33])=[O:34].[O-:35][C:36]([CH3:37])=[O:38].[Pd+2:30]>>[C:1](#[N:2])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11]([CH3:19])[n:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 222AmmoniaHCID 5975CyanideHCID 23978CopperHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 15045511HCID 15045511, compound

Product 1

HCID 150455124-(2-methyl-1H-benzimidazol-1-yl)benzonitrile

Sources & evidence

ORD record
ord-4b12968238204cca8160fd10c4163c72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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