Bicarbonate Ion → 1-[2-Fluoro-3-(2-oxopiperidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 690457Notes

Reaction equation

HRID 690457 reaction equation
[Br:1][c:2]1[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[Cu:61][I:62].[K+:47].[K+:48].[K+:49].[NH:29]1[C:30](=[O:35])[CH2:31][CH2:32][CH2:33][CH2:34]1.[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[c:2]1([N:29]2[C:30](=[O:35])[CH2:31][CH2:32][CH2:33][CH2:34]2)[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 126652-PiperidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 58072344HCID 58072344, compound

Product 1

HCID 580725031-[2-Fluoro-3-(2-oxopiperidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-8ea48552dd544404a28c0ebb5deea0bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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