HRID1556262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8530

1,4-Naphthoquinone

C10H6O2

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-90e5275269384232bd95175bf240ccb1
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

[CH3:45][N:46]([CH3:47])[P:48](=[O:49])([N:50]([CH3:51])[CH3:52])[N:53]([CH3:54])[CH3:55].[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.[O:33]=[C:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[C:41](=[O:42])[CH:43]=[CH:44]1.[OH2:56]>>[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