Potassium Cation → 1-(3-chloro-4-fluorophenyl)-6-[4-(2-oxo-1-piperidinyl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

HRID 1212095Notes

Reaction equation

HRID 1212095 reaction equation
[C:30]1(=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34][NH:35]1.[CH2:55]([O:56][C:57](=[O:58])[CH3:59])[CH3:60].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[c:12]3[c:13]2[C:14](=[O:25])[N:15]([c:18]2[cH:19][cH:20][c:21]([I:24])[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[F:8].[Cu:53][I:54].[K+:50].[K+:51].[K+:52].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[c:12]3[c:13]2[C:14](=[O:25])[N:15]([c:18]2[cH:19][cH:20][c:21]([N:35]4[C:30](=[O:36])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[F:8]

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 8857Ethyl AcetateHCID 126652-PiperidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 222404461-(3-chloro-4-fluorophenyl)-6-[4-iodophenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

Product 1

HCID 102075641-(3-chloro-4-fluorophenyl)-6-[4-(2-oxo-1-piperidinyl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

Sources & evidence

ORD record
ord-350d8e351fc643e698474e2a47663131
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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