HRID2139199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID10434

1,3-Cyclohexanedione

C6H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID19660

Carbonate

CO3-2

HCID15405331

8-Quinolinecarboxylic acid, 5-nitro-

C10H6N2O4

PRODUCTS

生成物

结构：O=C1CCCC(=O)C1C(=O)c1ccc([N+](=O)[O-])c2cccnc12

HCID15405332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ded021c1dfa04ee4b930b1631d844dfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:17]1(=[O:24])[CH2:18][C:19](=[O:23])[CH2:20][CH2:21][CH2:22]1.[CH3:40][C:41]([CH3:42])([OH:43])[C:44]#[N:45].[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH:25]1([N:26]=[C:27]=[N:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[c:11]([C:14](=[O:15])[OH:16])[cH:12][cH:13]1.[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[c:11]([C:14](=[O:16])[CH:18]2[C:17](=[O:24])[CH2:22][CH2:21][CH2:20][C:19]2=[O:23])[cH:12][cH:13]1