HRID830213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID5943

Carbon tetrachloride

CCl4

HCID7761

Diethyl propanedioate

C7H12O4

HCID5462224

Magnesium

结构：O=C(Cl)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl

HCID11818130

Benzoyl chloride, 2,4-dichloro-5-fluoro-3-nitro-

C7HCl3FNO3

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl

HCID13733139

Diethyl (2,4-dichloro-5-fluoro-3-nitrobenzoyl)propanedioate

C14H12Cl2FNO7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d383f584b454979ae12fe83cb1d476f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])(=[O:9])[O:10][CH2:11][CH3:12].[CH3:35][CH2:36][OH:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:15][c:16]1[c:17]([C:18](=[O:19])[Cl:20])[cH:21][c:22]([F:29])[c:23]([Cl:28])[c:24]1[N+:25](=[O:26])[O-:27].[Cl:46][C:47]([Cl:48])([Cl:49])[Cl:50].[H:13][H:14].[Mg:1].[OH2:45].[S:30](=[O:31])(=[O:32])([OH:33])[OH:34]>>[C:2]([CH:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:18]([c:17]1[c:16]([Cl:15])[c:24]([N+:25](=[O:26])[O-:27])[c:23]([Cl:28])[c:22]([F:29])[cH:21]1)=[O:19])(=[O:9])[O:10][CH2:11][CH3:12]