HRID1240376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID9550

Diazomethane

CH2N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：C#CC(CC)N(C(CC)C(=O)O)S(=O)(=O)c1ccc(Cl)cc1

HCID59342373

未命名化合物

PRODUCTS

生成物

结构：C#CC(CC)N(C(CC)C(=O)C=[N+]=[N-])S(=O)(=O)c1ccc(Cl)cc1

HCID72259587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2085d1965ed34bec8489067504223650
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:46]([OH:47])(=[O:48])[CH3:49].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]([C:13]#[CH:14])[CH2:15][CH3:16])[CH:17]([C:18](=[O:19])[OH:20])[CH2:21][CH3:22])[cH:6][cH:7]1.[Cl:30][C:31]([O:32][CH2:33][CH:34]([CH3:35])[CH3:36])=[O:37].[N+:38](=[N-:39])=[CH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]([C:13]#[CH:14])[CH2:15][CH3:16])[CH:17]([C:18](=[O:20])[CH:40]=[N+:38]=[N-:39])[CH2:21][CH3:22])[cH:6][cH:7]1