HRID1214274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID944

Nitric Acid

HNO3

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID3283

Diethyl Ether

C4H10O

HCID6212

Chloroform

CHCl3

结构：CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2

HCID135413533

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNc1nc2c([N+](=O)[O-])c(O)ccc2c2c1C(=O)c1ccccc1-2

HCID135966914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9a79d29a7e44738a0ea3474eea827a6
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

[CH2:35]([O:36][CH2:37][CH3:38])[CH3:39].[CH2:40]([OH:41])[CH3:42].[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][NH:6][c:7]1[n:8][c:9]2[cH:10][c:11]([OH:25])[cH:12][cH:13][c:14]2[c:15]2[c:16]1[C:17](=[O:24])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1-2.[CH3:44][OH:45].[CH:46]([Cl:47])([Cl:48])[Cl:49].[OH2:43].[OH:31][N+:32]([O-:33])=[O:34].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][NH:6][c:7]1[n:8][c:9]2[c:10]([N+:32](=[O:31])[O-:33])[c:11]([OH:25])[cH:12][cH:13][c:14]2[c:15]2[c:16]1[C:17](=[O:24])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1-2