Bicarbonate Ion → 1-[4-(5,5-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 675200Notes

Reaction equation

HRID 675200 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:29][C:30]1([CH3:36])[CH2:31][NH:32][C:33](=[O:35])[O:34]1.[Cu:64][I:65].[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+:50].[K+:51].[K+:52].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[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:32]2[CH2:31][C:30]([CH3:29])([CH3:36])[O:34][C:33]2=[O:35])[cH:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 813Potassium Cation3×HCID 923Sodium ionHCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 1368922-Oxazolidinone, 5,5-dimethyl-HCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 468490801-[4-(5,5-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-cb132efccbb54ff1a6b48e70bbdcd6bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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