HRID1219232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID59344938

未命名化合物

结构：Cc1cc(C(CC2CCC(=O)C2)C(=O)O)ccc1S(C)(=O)=O

HCID178424538

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(CC2CCC(=O)C2)C(=O)Nc2ccn(CC(C)(C)O)n2)ccc1S(C)(=O)=O

HCID178424534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8c7b28032804594bc285ffdaafb8c69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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