Sodium ion → 1-{4-[3-(Difluoromethyl)-2-oxoimidazolidin-1-yl]-2-fluorophenyl}-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

HRID 143628Notes

Reaction equation

HRID 143628 reaction equation
[CH3:60][C:61]#[N:62].[Cl:34][C:35]([C:36]([O-:37])=[O:38])([F:39])[F:40].[F:1][c:2]1[c:3](-[n:14]2[n:15][c:16](-[c:23]3[cH:24][cH:25][n:26][n:27]3-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:17](=[O:22])[c:18]([O:20][CH3:21])[cH:19]2)[cH:4][cH:5][c:6]([N:8]2[C:9](=[O:13])[NH:10][CH2:11][CH2:12]2)[cH:7]1.[Na+:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH2:52][CH2:53][O:54][CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[F:1][c:2]1[c:3](-[n:14]2[n:15][c:16](-[c:23]3[cH:24][cH:25][n:26][n:27]3-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:17](=[O:22])[c:18]([O:20][CH3:21])[cH:19]2)[cH:4][cH:5][c:6]([N:8]2[C:9](=[O:13])[N:10]([CH:35]([F:39])[F:40])[CH2:11][CH2:12]2)[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6342AcetonitrileHCID 2855718-Crown-6HCID 37630462-Chloro-2,2-difluoroacetateHCID 580724131-[2-Fluoro-4-(2-oxoimidazolidin-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 580725261-{4-[3-(Difluoromethyl)-2-oxoimidazolidin-1-yl]-2-fluorophenyl}-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Sources & evidence

ORD record
ord-96d914170a0c42ec980ccc9d8a78ff36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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