HRID293625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID402

Hydrogen sulfide

H2S

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8071

未命名化合物

HCID119440

1-Hydroxyethyl radical

C2H5O-

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-f07e4a260c054bd98de68e667053f309
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:2][CH2:3][O-:4].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[Cl:6][CH2:7][C:8]1=[C:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH:12]([c:19]2[cH:20][c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]2)[C:11]([C:28](=[O:29])[O:30][CH2:31][CH3:32])=[C:10]([CH3:33])[NH:9]1.[Na+:1].[OH2:45].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38].[SH2:5]>>[CH2:7]([C:8]1=[C:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[CH:12]([c:19]2[cH:20][c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]2)[C:11]([C:28](=[O:29])[O:30][CH2:31][CH3:32])=[C:10]([CH3:33])[NH:9]1)[SH:34]