HRID946909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12993977

未命名化合物

结构：CS(=O)(=O)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1

HCID14800186

4-(Methanesulfonyl)-2-nitrobenzoyl chloride

C8H6ClNO5S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=O)C2=C(O)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

HCID178504767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84a8aed120c1465d86ecaec52f0bf38d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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