Potassium Cation → 1-[2,5-Difluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 300103Notes

Reaction equation

HRID 300103 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:29])[c:5](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:6][c:7]1[F:8].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[Cu:56][I:57].[K+:47].[K+:48].[K+:49].[O:30]=[C:31]1[CH2:32][CH2:33][CH2:34][NH:35]1.[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[c:2]1([N:35]2[C:31](=[O:30])[CH2:32][CH2:33][CH2:34]2)[cH:3][c:4]([F:29])[c:5](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:6][c:7]1[F:8]

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 120252-PyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 580724211-(4-Bromo-2,5-difluorophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580721981-[2,5-Difluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-7b56b1c8d6e34ac7a64c28acf7330de6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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