HRID1538389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7000

2-Anisidine

C7H9NO

HCID7323

Benzenesulfonyl chloride, 4-chloro-3-nitro-

C6H3Cl2NO4S

HCID53167

1-Methylpiperazine

C5H12N2

结构：COc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

HCID2887683

4-chloro-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

C13H11ClN2O5S

PRODUCTS

生成物

结构：COc1ccccc1NS(=O)(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1

HCID22272549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebb021ce476b44f68ac6c0e38f85de68
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

[CH3:15][O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][c:22]1[NH2:23].[CH3:46][N:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:6]([Cl:7])(=[O:8])=[O:9])[cH:10][c:11]1[N+:12]([O-:13])=[O:14].[Cl:24][c:25]1[c:26]([N+:43](=[O:44])[O-:45])[cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:29][cH:30]1.[Cl:53][CH2:54][Cl:55].[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1>>[c:25]1([N:50]2[CH2:49][CH2:48][N:47]([CH3:46])[CH2:52][CH2:51]2)[c:26]([N+:43](=[O:44])[O-:45])[cH:27][c:28]([S:31](=[O:32])(=[O:33])[NH:34][c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:29][cH:30]1