HRID2137178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(Cc1c[nH]c2c([N+](=O)[O-])cccc12)[N+](=O)[O-]

HCID22014767

未命名化合物

结构：CC(C)(Cc1c[nH]c2c(N)cccc12)[N+](=O)[O-]

HCID22014790

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Cc1c[nH]c2c(NS(=O)(=O)c3ccccc3)cccc12)[N+](=O)[O-]

HCID69516605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c3159c7df8432288528429129121f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[N+:1](=[O:2])([O-:3])[C:4]([CH2:5][c:6]1[cH:7][nH:8][c:9]2[c:10]([N+:15]([O-:16])=[O:17])[cH:11][cH:12][cH:13][c:14]12)([CH3:18])[CH3:19].[N+:20]([C:21]([CH3:22])([CH3:23])[CH2:24][c:25]1[c:26]2[c:27]([c:28]([NH2:29])[cH:30][cH:31][cH:32]2)[nH:33][cH:34]1)([O-:35])=[O:36].[c:37]1([S:43](=[O:44])(=[O:45])[Cl:46])[cH:38][cH:39][cH:40][cH:41][cH:42]1.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[N+:1](=[O:2])([O-:3])[C:4]([CH2:5][c:6]1[cH:7][nH:8][c:9]2[c:10]([NH:15][S:43]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)(=[O:44])=[O:45])[cH:11][cH:12][cH:13][c:14]12)([CH3:18])[CH3:19]