HRID800145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID66012

1-Isocyanato-4-nitro-benzene

C7H4N2O3

HCID137876

1,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dione

C11H16O2

PRODUCTS

生成物

结构：CC12CCC(C(=O)C(C(=O)Nc3ccc([N+](=O)[O-])cc3)C1=O)C2(C)C

HCID11515718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e925d6645cb147d38769cf017a83952f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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