HRID2137854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OCCCC(C)(C)NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

HCID20140775

未命名化合物

HCID178526132

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CCCSC(=O)c1ccccc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1

HCID20140776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4e7bdc779924104b61d5f19d5972a3f
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[S:8])[OH:9].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[H-:10].[Na+:11].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([O:18][CH2:22][CH2:23][CH2:24][C:25]([CH3:26])([NH:27][C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]2)[CH3:41])(=[O:19])=[O:20])[cH:21][cH:42]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([S:8][CH2:22][CH2:23][CH2:24][C:25]([CH3:26])([NH:27][C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]1)[CH3:41])=[O:9]