HRID1562286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7370

Benzenesulfonamide

C6H7NO2S

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

结构：CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

HCID4110026

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)NS(=O)(=O)c2ccccc2)cc1

HCID15104381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-933210bf4f8349cb8ccfb2ed782ee7ec
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

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