HRID672659

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

HCID21897294

未命名化合物

PRODUCTS

生成物

结构：CC(C)=Cc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1

HCID67482774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d30b6201a6df4588873a9fd14f252a0c
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

[CH2:44]([Cl:45])[Cl:46].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[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].[NH2:33][c:34]1[n:35][cH:36][c:37]([CH:40]=[C:41]([CH3:42])[CH3:43])[n:38][cH:39]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:33][c:34]2[n:35][cH:36][c:37]([CH:40]=[C:41]([CH3:42])[CH3:43])[n:38][cH:39]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]