Ammonium → 6-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile

HRID 1210476Notes

Reaction equation

HRID 1210476 reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:56][C:57]#[N:58].[Ce+3:23].[F:1][c:2]1[cH:3][n:4][c:5]([O:10][c:11]2[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]2)[c:6]([C:8]#[N:9])[n:7]1.[N+:19]([O-:20])([O-:21])=[O:22].[N+:26]([O-:27])([O-:28])=[O:29].[N+:30]([O-:31])([O-:32])=[O:33].[N+:34]([O-:35])([O-:36])=[O:37].[N+:38]([O-:39])([O-:40])=[O:41].[NH4+:24].[NH4+:25].[Na+:54].[Na+:55].[OH2:59].[S:49]([O-:50])([O-:51])(=[O:52])=[S:53]>>[F:1][c:2]1[cH:3][nH:4][c:5](=[O:10])[c:6]([C:8]#[N:9])[n:7]1

Participants

10

Reactant 9

HCID 223Ammonium2×HCID 923Sodium ion2×HCID 943Nitrate5×HCID 962WaterHCID 1084Thiosulfate ionHCID 1140TolueneHCID 6342AcetonitrileHCID 114853Cerium(3+)HCID 226627916-Fluoro-3-(4-methoxyphenoxy)-2-pyrazinecarbonitrile

Product 1

HCID 226627856-Fluoro-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile

Sources & evidence

ORD record
ord-edf959b8320749f1a23459ccdbbd6a31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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