Potassium Cation → 3-[3-Fluoranyl-4-[5-Methoxy-4-Oxidanylidene-3-(2-Phenylpyrazol-3-Yl)pyridazin-1-Yl]phenyl]-1,3-Oxazolidin-2-One

HRID 99703Notes

Reaction equation

HRID 99703 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[Cu:57][I:58].[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][cH:5][c:6]([I:8])[cH:7]1.[K+:48].[K+:49].[K+:50].[NH2:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH:41]1[NH2:42].[O:29]1[C:30](=[O:34])[NH:31][CH2:32][CH2:33]1.[OH2:59].[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[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][cH:5][c:6]([N:31]2[C:30](=[O:34])[O:29][CH2:33][CH2:32]2)[cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 739492-OxazolidinoneHCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 468489173-[3-Fluoranyl-4-[5-Methoxy-4-Oxidanylidene-3-(2-Phenylpyrazol-3-Yl)pyridazin-1-Yl]phenyl]-1,3-Oxazolidin-2-One

Sources & evidence

ORD record
ord-7ffb544cb0c94b0ab9c723c3c36bdf48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…