HRID157576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1302

(+/-)-Naproxen

C14H14O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID81565

N,N-Bis(2-hydroxyethyl)-p-toluenesulphonamide

C11H17NO4S

PRODUCTS

生成物

结构：COc1ccc2cc(C(C)C(=O)OCCN(CCO)S(=O)(=O)c3ccc(C)cc3)ccc2c1

HCID178487458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bf59a7420bc4529a3c3cde528b9efca
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]1[cH:4][c:5]2[cH:6][cH:7][c:8]([CH:13]([C:14](=[O:15])[OH:16])[CH3:17])[cH:9][c:10]2[cH:11][cH:12]1.[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[Cl:56][CH2:57][Cl:58].[ClH:35].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:18][CH2:19][CH2:20][N:21]([S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]1)[CH2:32][CH2:33][OH:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([CH:13]([C:14]([O:15][CH2:33][CH2:32][N:21]([CH2:20][CH2:19][OH:18])[S:22](=[O:23])(=[O:24])[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)=[O:16])[CH3:17])[cH:9][c:10]2[cH:11][cH:12]1