Potassium Cation → 1-(4-fluorophenyl)-6-methyl-1H-indazol-5-ol

HRID 120658

Reaction equation

HRID 120658 reaction equation
[CH3:1][c:2]1[c:3]([OH:11])[cH:4][c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:12]1([NH2:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH:18]1[NH2:19].[Cu:48][I:49].[F:28][c:29]1[cH:30][cH:31][c:32]([I:35])[cH:33][cH:34]1.[K+:25].[K+:26].[K+:27].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[P:20]([O-:21])([O-:22])([O-:23])=[O:24]>>[CH3:1][c:2]1[c:3]([OH:11])[cH:4][c:5]2[cH:6][n:7][n:8](-[c:32]3[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]3)[c:9]2[cH:10]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 8857Ethyl AcetateHCID 96054-FluoroiodobenzeneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 229340186-Methyl-1H-indazol-5-ol

Product 1

HCID 592527721-(4-fluorophenyl)-6-methyl-1H-indazol-5-ol

Sources & evidence

ORD record
ord-81513e5e47e44c5c9fb8f4d449ebc53f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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