HRID86129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10556

Propane, 1-iodo-2-methyl-

C4H9I

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：CS(=O)(=O)c1cccc(-c2ncc(CNS(=O)(=O)c3ccccc3Cl)s2)c1

HCID67439913

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1cnc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1ccccc1Cl

HCID25234387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7248291b6b09485b952e5b39c848f537
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[Cl:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][c:13]2[cH:14][n:15][c:16](-[c:18]3[cH:19][c:20]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:21][cH:22][cH:23]3)[s:17]2)[cH:4][cH:5][cH:6][cH:7]1.[Cs+:37].[Cs+:38].[I:28][CH2:29][CH:30]([CH3:31])[CH3:32]>>[Cl:1][c:2]1[c:3]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][c:13]2[cH:14][n:15][c:16](-[c:18]3[cH:19][c:20]([S:24](=[O:25])(=[O:26])[CH3:27])[cH:21][cH:22][cH:23]3)[s:17]2)[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:4][cH:5][cH:6][cH:7]1