HRID2126684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6328

Methyl iodide

CH3I

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(F)c(Cl)c1

HCID67278706

未命名化合物

PRODUCTS

生成物

结构：CN(C1CCCc2c(OCC(=O)OC(C)(C)C)cccc21)S(=O)(=O)c1ccc(F)c(Cl)c1

HCID67278872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12be7853327f4434a8ff60f36f489b51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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