HRID2346996

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

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

HCID12067654

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

C15H19ClO4S

HCID21897307

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(CC#N)cn2)cc1Cl

HCID21897280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9a2b7424bd946b9abb4c2c9f2542892
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:44]([Cl:45])[Cl:46].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[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][cH:31][c:32]([CH2:35][C:36]#[N:37])[n:33][cH:34]1.[OH2:47].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:28][c:29]2[n:30][cH:31][c:32]([CH2:35][C:36]#[N:37])[n: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]