HRID111845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID402

Hydrogen sulfide

H2S

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

结构：CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

HCID3064723

Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C19H21ClN2O6

PRODUCTS

生成物

结构：CCOC(=O)C1=C(C)NC(CS)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

HCID11675833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72e79ca8e8aa4aa1910e84fe0267e335
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:30]([N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH2:51]([Cl:52])[Cl:53].[Cl:1][CH2:2][C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1.[SH2:29]>>[CH2:2]([C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1)[SH:29]