HRID671596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID4744711

2-(4-(Tert-butyl)phenyl)cyclopropanecarboxylic acid

C14H18O2

HCID70968436

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)NC(=O)C2CC2c2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O

HCID73127582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2dcb41d8d824f35a6d538440f8d6084
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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