Acetate → 1-Isobutyl-6-phenylethynyl-1H-benzimidazol-2-ylamine

HRID 302821Notes

Reaction equation

HRID 302821 reaction equation
[Br:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([n:13]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:14]([NH2:16])[n:15]2)[cH:21]1.[CH3:30][S:31]([CH3:32])=[O:33].[Cu:43][I:44].[K+:1].[K+:2].[O-:35][C:36]([CH3:37])=[O:38].[O-:39][C:40]([CH3:41])=[O:42].[O-:3][C:4]([O-:5])=[O:6].[Pd+2:34].[c:22]1([C:28]#[CH:29])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[c:8]1([C:29]#[C:28][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10][c:11]2[c:12]([n:13]([CH2:17][CH:18]([CH3:19])[CH3:20])[c:14]([NH2:16])[n:15]2)[cH:21]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 10821PhenylacetyleneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 653467761-Isobutyl-2-amino-6-bromobenzimidazole

Product 1

HCID 668692771-Isobutyl-6-phenylethynyl-1H-benzimidazol-2-ylamine

Sources & evidence

ORD record
ord-415d860aa7e345248054845633561ecb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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