Dimethyl Sulfoxide → 5-{[6-(1H-Imidazol-1-yl)pyridine-3-yl]methyl}-2-(2-methylphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

HRID 88507Notes

Reaction equation

HRID 88507 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1.[CH3:35][NH:36][CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH:42]1[NH:43][CH3:44].[CH3:53][S:54](=[O:55])[CH3:56].[Cu:57][I:58].[K+:50].[K+:51].[K+:52].[OH2:59].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[nH:30]1[cH:31][n:32][cH:33][cH:34]1>>[c:2]1(-[n:30]2[cH:31][n:32][cH:33][cH:34]2)[cH:3][cH:4][c:5]([CH2:8][n:9]2[n:10][c:11]3[c:21](=[O:22])[n:20](-[c:23]4[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]4)[n:19][c:12]-3[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[cH:6][n:7]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 795ImidazoleHCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 468966115-[(6-Bromopyridin-3-yl)methyl]-2-(2-methylphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

Product 1

HCID 468966125-{[6-(1H-Imidazol-1-yl)pyridine-3-yl]methyl}-2-(2-methylphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

Sources & evidence

ORD record
ord-3414aae0acb340dc896ed463d362e390
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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