HRID1542820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID597730

4-(Chloromethyl)-2-nitrotoluene

C8H8ClNO2

结构：COc1ccc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)cc1

HCID10783604

N-[(4-Methoxyphenyl)sulfonyl]valine 1,1-dimethylethyl ester

C16H25NO5S

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccc(C)c([N+](=O)[O-])c2)C(C(=O)OC(C)(C)C)C(C)C)cc1

HCID69763060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-077b1395720a4cfd9793c910ec5608e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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