HRID143836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6942

2-Aminobenzamide

C7H8N2O

结构：CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])o1

HCID7097

5-Nitro-2-furanmethanediol diacetate

C9H9NO7

HCID12774

5-Nitro-2-furaldehyde

C5H3NO4

结构：O=[N+]([O-])c1ccc(C=Cc2nc(Nc3ccc(O)cc3)c3ccccc3n2)o1

HCID54073999

4-({2-[2-(5-Nitrofuran-2-yl)ethenyl]quinazolin-4-yl}amino)phenol

C20H14N4O4

HCID135400457

2-Methyl-4(3H)-quinazolinone

C9H8N2O

PRODUCTS

生成物

结构：O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])o2)nc2ccccc12

HCID136114329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41eac871eb9c4335a5d01e5cd1000891
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

[C:30]([NH2:31])([c:32]1[c:33]([NH2:39])[cH:34][cH:35][cH:36][cH:37]1)=[O:38].[C:52]([O:53][CH:54]([O:55][C:56](=[O:57])[CH3:58])[c:59]1[o:60][c:61]([N+:62]([O-:63])=[O:64])[cH:65][cH:66]1)(=[O:67])[CH3:68].[CH3:40][c:41]1[nH:42][c:43](=[O:44])[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51]1.[ClH:29].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:9]=[CH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]([NH:21][c:22]3[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]3)[n:20]2)[o:8]1.[N+:69]([c:70]1[o:71][c:72]([CH:73]=[O:74])[cH:75][cH:76]1)([O-:77])=[O:78]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:9]=[CH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:38])[nH:20]2)[o:8]1