HRID208345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID246789

2,2,3,3,3-pentafluoropropanehydrazide

C3H3F5N2O

结构：O=C(Cl)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

HCID12507556

未命名化合物

PRODUCTS

生成物

结构：O=C(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NNC(=O)C(F)(F)C(F)(F)F

HCID19738489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ada31598fb949cfaaaf5afb590cf64f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:28](=[O:29])([OH:30])[O-:31].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[Cl:38][CH2:39][CH2:40][Cl:41].[ClH:27].[F:1][C:2]([C:3](=[O:4])[NH:5][NH2:6])([C:7]([F:8])([F:9])[F:10])[F:11].[N+:12](=[O:13])([O-:14])[C:15]([CH2:16][CH2:17][C:18](=[O:19])[Cl:20])([N+:21](=[O:22])[O-:23])[N+:24](=[O:25])[O-:26].[Na+:32].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[F:1][C:2]([C:3](=[O:4])[NH:5][NH:6][C:18]([CH2:17][CH2:16][C:15]([N+:12](=[O:13])[O-:14])([N+:21](=[O:22])[O-:23])[N+:24](=[O:25])[O-:26])=[O:19])([C:7]([F:8])([F:9])[F:10])[F:11]