HRID165836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70968436

未命名化合物

HCID86607928

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)nc2Cl)ccc1NS(C)(=O)=O

HCID91002937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31eaa43e16b04296a11bec1bbe78ffb5
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:12]2[CH:13]([C:15](=[O:16])[OH:17])[CH2:14]2)[c:9]([Cl:11])[n:10]1.[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[Cl:18][C:19]([C:20]([Cl:21])=[O:22])=[O:23].[Cl:40][CH2:41][Cl:42].[ClH:24].[NH2:25][CH:26]([CH3:27])[c:28]1[cH:29][c:30]([CH3:39])[c:31]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:32][cH:33]1.[cH:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:12]2[CH:13]([C:15](=[O:17])[NH:25][CH:26]([CH3:27])[c:28]3[cH:29][c:30]([CH3:39])[c:31]([NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:32][cH:33]3)[CH2:14]2)[c:9]([Cl:11])[n:10]1