HRID167727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID3301

Ethylenediamine

C2H8N2

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID612417

5-(3-nitrophenyl)furan-2-carbaldehyde

C11H7NO4

HCID4594337

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccccc1NN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S

HCID86644301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c4f52b32494e4da02a7a9c4522f3e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:34]([OH:35])(=[O:36])[CH3:37].[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:42]([NH2:43])[CH2:44][NH2:45].[CH3:51][OH:52].[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][c:23](-[c:27]2[cH:28][cH:29][c:30]([CH:32]=[O:33])[o:31]2)[cH:24][cH:25][cH:26]1.[Na+:46].[O:1]=[C:2]1[N:3]([NH:8][c:9]2[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][cH:17]2)[C:4](=[S:7])[S:5][CH2:6]1.[OH:47][S:48](=[O:49])[O-:50]>>[O:1]=[C:2]1[N:3]([NH:8][c:9]2[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][cH:17]2)[C:4](=[S:7])[S:5][C:6]1=[CH:32][c:30]1[cH:29][cH:28][c:27](-[c:23]2[cH:22][c:21]([N+:18](=[O:19])[O-:20])[cH:26][cH:25][cH:24]2)[o:31]1