HRID1150940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7404

Benzenesulfonyl chloride, 4-nitro-

C6H4ClNO4S

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1ccc(-c2nc(NCCN)ncc2-c2ncc[nH]2)cc1

HCID57231913

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(-c2nc(NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ncc2-c2ncc[nH]2)cc1

HCID22142902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-531400d00f8440be98a68d5ae1701109
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1.[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[n:6][cH:7][c:8](-[c:19]2[nH:20][cH:21][cH:22][n:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:10]1>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[n:6][cH:7][c:8](-[c:19]2[nH:20][cH:21][cH:22][n:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:10]1)[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1