HRID1208707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

C15H19ClO4S

HCID21897298

未命名化合物

PRODUCTS

生成物

结构：COC(C)(OC)c1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

HCID67482675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de333c664f9f4e57ab3ef60fe35eed71
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

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