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

HRID 144657Notes

Reaction equation

HRID 144657 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[Cu:62][I:63].[F:1][c:2]1[c:3](-[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:4][c:5]([I:8])[cH:6][cH:7]1.[K+:40].[K+:41].[K+:42].[NH2:43][CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH:49]1[NH2:50].[Na+:61].[O-:57][C:58]([OH:59])=[O:60].[O:29]=[C:30]1[CH2:31][CH2:32][CH2:33][NH:34]1.[P:35]([O-:36])([O-:37])([O-:38])=[O:39]>>[F:1][c:2]1[c:3](-[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:4][c:5]([N:34]2[C:30](=[O:29])[CH2:31][CH2:32][CH2:33]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 120252-PyrrolidoneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 580722081-(2-Fluoro-5-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580722201-[2-Fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-b640f5852396448691d944ab001b84cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…