HRID1224526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID9864

Cyanamide

CH2N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID137690

2-Nitrophenyl isothiocyanate

C7H4N2O2S

HCID520907

2-Butanamine, 3,3-dimethyl-

C6H15N

HCID5360545

Sodium

PRODUCTS

生成物

结构：CC(NC(=NC#N)Nc1ccccc1[N+](=O)[O-])C(C)(C)C

HCID178464575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad7352aa2e29472d916af45bbe2d55fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[ClH:33].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:10]=[C:11]=[S:12])[cH:6][cH:7][cH:8][cH:9]1.[N:13]#[C:14][NH2:15].[NH2:26][CH:27]([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32].[Na:16].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:10][C:11](=[N:15][C:14]#[N:13])[NH:26][CH:27]([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[cH:6][cH:7][cH:8][cH:9]1