HRID1555770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID1302

(+/-)-Naproxen

C14H14O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9934

未命名化合物

HCID65578

Ethanedioyl dichloride

C2Cl2O2

PRODUCTS

生成物

结构：COc1ccc2cc(C(C)C(=O)N3CSCC3C(=O)O)ccc2c1

HCID22256713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de87a2e48ceb4907993334e5087644c4
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:18]([Cl:19])(=[O:20])[C:21]([Cl:22])=[O:23].[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.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][C:53](=[O:54])[CH3:55].[ClH:39].[S:24]1[CH2:25][NH:26][CH:27]([C:29](=[O:30])[OH:31])[CH2:28]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([CH:13]([C:14](=[O:16])[N:26]3[CH2:25][S:24][CH2:28][CH:27]3[C:29](=[O:30])[OH:31])[CH3:17])[cH:9][c:10]2[cH:11][cH:12]1