HRID88471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5922

Isonicotinic acid

C6H5NO2

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)N(CO)C2=O)c2ccccc21

HCID9867338

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)N(COC(=O)c3ccncc3)C2=O)c2ccccc21

HCID9871825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0be1e5e5771f459ab4df428cb115b2f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:11]([N:12]=[C:13]=[N:14][CH2:15][CH2:16][CH2:17][N:18]([CH3:19])[CH3:20])[CH3:21].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][n:8]1)[CH3:9].[Cl:63][CH2:64][Cl:65].[ClH:10].[OH:31][CH2:32][N:33]1[C:34](=[O:62])[C:35]([c:52]2[cH:53][n:54]([CH3:61])[c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]23)=[C:36]([c:39]2[cH:40][n:41]([CH3:51])[c:42]3[cH:43][c:44]([N+:48](=[O:49])[O-:50])[cH:45][cH:46][c:47]23)[C:37]1=[O:38].[cH:22]1[cH:23][c:24]([C:28](=[O:29])[OH:30])[cH:25][cH:26][n:27]1>>[cH:22]1[cH:23][c:24]([C:28]([O:29][CH2:32][N:33]2[C:34](=[O:62])[C:35]([c:52]3[cH:53][n:54]([CH3:61])[c:55]4[cH:56][cH:57][cH:58][cH:59][c:60]34)=[C:36]([c:39]3[cH:40][n:41]([CH3:51])[c:42]4[cH:43][c:44]([N+:48](=[O:49])[O-:50])[cH:45][cH:46][c:47]34)[C:37]2=[O:38])=[O:30])[cH:25][cH:26][n:27]1