HRID140641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7370

Benzenesulfonamide

C6H7NO2S

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15513

Methyl hydrogen terephthalate

C9H8O4

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1

HCID15017731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a531846d2893409084cd2fd0d555281f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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