HRID2157243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID47263

Cetaben

C23H39NO2

HCID72879

Methanesulfonamide

CH5NO2S

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCNc1ccc(C(=O)NS(C)(=O)=O)cc1

HCID20437358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34447f54ee5b4b77b499f09763ba882f
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

[CH2:38]([CH2:39][O:40][CH3:41])[O:42][CH3:43].[CH2:44]([Cl:45])[Cl:46].[CH2:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]1.[CH3:1][S:2](=[O:3])(=[O:4])[NH2:5].[CH3:47][C:48]([N:49]([CH3:50])[CH3:51])=[O:52].[H-:6].[Na+:7].[OH2:53].[S:34]([Cl:35])([Cl:36])=[O:37]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][C:29]([c:28]1[cH:27][cH:26][c:25]([NH:24][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[cH:33][cH:32]1)=[O:30]