HRID1571295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7516

Phenylhydrazine

C6H8N2

结构：O=C(O)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1

HCID20325964

3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carboxylic acid

C14H9N3O5

PRODUCTS

生成物

结构：O=C(NNc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1

HCID20326104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22fcdfedd2a8435e87876ae292a456a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:33]([OH:34])[CH3:35].[Cl-:1].[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8](-[c:10]2[n:11][n:12](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:13][c:14]2[C:15](=[O:16])[OH:17])[o:9]1.[OH2:32].[c:24]1([NH:30][NH2:31])[cH:25][cH:26][cH:27][cH:28][cH:29]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8](-[c:10]2[n:11][n:12](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:13][c:14]2[C:15](=[O:17])[NH:31][NH:30][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[o:9]1