HRID108378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID24813

Phosphoric trichloride

Cl3OP

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

HCID20325933

3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carbonyl chloride

C14H8ClN3O4

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

HCID20326123

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

C14H10N4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c23ca617dc8a417eb7831bc3f61abe06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:50][CH:51]([Cl:52])[CH3:53].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][n:11](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:12][c:13]2[C:14](=[O:15])[OH:16])[o:8]1.[N+:28]([c:29]1[o:30][c:31](-[c:32]2[c:33]([C:34]([Cl:35])=[O:36])[cH:37][n:38](-[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[n:45]2)[cH:46][cH:47]1)([O-:48])=[O:49].[P:23]([Cl:24])([Cl:25])([Cl:26])=[O:27]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:9]2[n:10][n:11](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:12][c:13]2[C:14](=[O:15])[NH2:28])[o:8]1