HRID1117964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID944

Nitric Acid

HNO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

HCID11310042

7-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE

C10H12N2O2

HCID57416140

2-(7-Amino-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N,N-dimethylacetamide

C14H21N3O

PRODUCTS

生成物

结构：CN(C)C(=O)CN1CCc2ccc([N+](=O)[O-])cc2CC1

HCID57416161

N,N-Dimethyl-2-(7-nitro-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)acetamide

C14H19N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a53afaa6a98240dda43e58685a5aed3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[Cl:43][CH2:44][C:45]([N:46]([CH3:47])[CH3:48])=[O:49].[I-:51].[K+:41].[K+:42].[N+:19](=[O:20])([OH:21])[O-:22].[N+:23]([c:24]1[cH:25][cH:26][c:27]2[c:33]([cH:34]1)[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)([O-:35])=[O:36].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2.[Na+:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[c:2]1([N+:19](=[O:20])[O-:22])[cH:3][c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2