Bicarbonate Ion → 2-(2,3-dimethylphenyl)-5-[4-(1H-pyrazol-1-yl)benzyl]-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

HRID 319868

Reaction equation

HRID 319868 reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH3:44][NH:45][CH:46]1[CH2:47][CH2:48][CH2:49][CH2:50][CH:51]1[NH:52][CH3:53].[Cu:59][I:60].[I:27][c:28]1[c:29]([CH3:35])[c:30]([CH3:34])[cH:31][cH:32][cH:33]1.[K+:41].[K+:42].[K+:43].[Na+:58].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([CH2:10][n:11]3[n:12][c:13]4[c:23](=[O:24])[nH:22][n:21][c:14]-4[c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]34)[cH:25][cH:26]2)[n:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9]([CH2:10][n:11]3[n:12][c:13]4[c:23](=[O:24])[n:22](-[c:28]5[c:29]([CH3:35])[c:30]([CH3:34])[cH:31][cH:32][cH:33]5)[n:21][c:14]-4[c:15]4[cH:16][cH:17][cH:18][cH:19][c:20]34)[cH:25][cH:26]2)[n:2][cH:3][cH:4][cH:5]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 1416452,3-DimethyliodobenzeneHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 687857895-[4-(1H-Pyrazol-1-yl)benzyl]-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

Product 1

HCID 468967082-(2,3-dimethylphenyl)-5-[4-(1H-pyrazol-1-yl)benzyl]-2,5-dihydro-3H-pyrazolo[4,3-c]cinnolin-3-one

Sources & evidence

ORD record
ord-dbc41782664144afac7e427ff94866e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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