HRID2316035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=[N+]([O-])c1ccc(S(=O)(=O)n2cncn2)cc1

HCID93796

1-((4-Nitrophenyl)sulphonyl)-1H-1,2,4-triazole

C8H6N4O4S

HCID66905580

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc3nc(N4CC(OS(=O)(=O)c5ccc([N+](=O)[O-])cc5)C4)sc3c2)cn1

HCID86631906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-345a80f3d8fb4c11910d43973019ca31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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