HRID138107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID923

Sodium ion

Na+

2 次

HCID943

Nitrate

NO3-

5 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID114853

Cerium(3+)

Ce+3

HCID22662834

未命名化合物

PRODUCTS

生成物

HCID22662785

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

C5H2FN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d29122c25344d7d98f8bb4da7774269
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([O:13][c:14]2[c:15]([C:21]#[N:22])[n:16][c:17]([F:20])[cH:18][n:19]2)[cH:7][cH:8]1)[c:9]1[cH:10][cH:11][cH:12][cH:23][cH:24]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:61][C:62]#[N:63].[Ce+3:29].[N+:25]([O-:26])([O-:27])=[O:28].[N+:32]([O-:33])([O-:34])=[O:35].[N+:36]([O-:37])([O-:38])=[O:39].[N+:40]([O-:41])([O-:42])=[O:43].[N+:44]([O-:45])([O-:46])=[O:47].[NH4+:30].[NH4+:31].[Na+:59].[Na+:60].[OH2:64].[S:54]([O-:55])([O-:56])(=[O:57])=[S:58]>>[O:13]=[c:14]1[c:15]([C:21]#[N:22])[n:16][c:17]([F:20])[cH:18][nH:19]1