HRID115644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6775

2,3-Dichloro-5,6-dicyano-p-benzoquinone

C8Cl2N2O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

结构：O=[N+]([O-])c1cc([N+](=O)[O-])c(CCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

HCID138431

2,2',4,4',6,6'-Hexanitrodibenzyl

C14H8N6O12

PRODUCTS

生成物

HCID253628

1,1′-(1,2-Ethenediyl)bis[2,4,6-trinitrobenzene]

C14H6N6O12

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ba082c5cb74ad684936cf15780a819
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

[CH3:47][N:48]([CH3:49])[P:50](=[O:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57].[Cl:33][C:34]1=[C:45]([Cl:46])[C:43](=[O:44])[C:40]([C:41]#[N:42])=[C:37]([C:38]#[N:39])[C:35]1=[O:36].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH2:16][CH2:17][c:18]2[c:19]([N+:30](=[O:31])[O-:32])[cH:20][c:21]([N+:27](=[O:28])[O-:29])[cH:22][c:23]2[N+:24](=[O:25])[O-:26])[c:6]([N+:13](=[O:14])[O-:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[OH2:58]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:16]=[CH:17][c:18]2[c:19]([N+:30](=[O:31])[O-:32])[cH:20][c:21]([N+:27](=[O:28])[O-:29])[cH:22][c:23]2[N+:24](=[O:25])[O-:26])[c:6]([N+:13](=[O:14])[O-:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1