HRID834981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID295763

2-methylpyrimidin-4-amine

C5H7N3

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

HCID12067654

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

C15H19ClO4S

PRODUCTS

生成物

结构：Cc1nccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID22315156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0657fc0b40d54427afeac1c9a0c24bd3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:42]([Cl:43])[Cl:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[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].[NH2:28][c:29]1[n:30][c:31]([CH3:35])[n:32][cH:33][cH:34]1.[OH2:50].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:28][c:29]2[n:30][c:31]([CH3:35])[n:32][cH:33][cH:34]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]