HRID677844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

结构：O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

HCID161593

5-(4-Nitrophenyl)furan-2-carboxylic acid

C11H7NO5

HCID14987124

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID161593

5-(4-Nitrophenyl)furan-2-carboxylic acid

C11H7NO5

HCID14987124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b1f1a4fae444a658733d313b332126f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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