HRID1559126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

HCID166653

Hydride

H-

结构：O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)c2ncccc12

HCID19700720

未命名化合物

PRODUCTS

生成物

结构：O=c1c2cccnc2c(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccncc1

HCID9808563

8-(3-Nitrophenyl)-6-[(pyridin-4-yl)methyl]pyrido[2,3-d]pyridazin-5(6H)-one

C19H13N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7d782d8317545968359b54484696140
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

[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[ClH:23].[H-:21].[K+:36].[K+:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[n:11][nH:12][c:13](=[O:20])[c:14]3[c:15]2[n:16][cH:17][cH:18][cH:19]3)[cH:7][cH:8][cH:9]1.[Na+:22].[cH:24]1[cH:25][c:26]([CH2:30][Cl:31])[cH:27][cH:28][n:29]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6](-[c:10]2[n:11][n:12]([CH2:30][c:26]3[cH:25][cH:24][n:29][cH:28][cH:27]3)[c:13](=[O:20])[c:14]3[c:15]2[n:16][cH:17][cH:18][cH:19]3)[cH:7][cH:8][cH:9]1