HRID1563354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID980

4-Nitrophenol

C6H5NO3

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID70215629

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(C=C(C)C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC

HCID70215631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c764e836a324401aa75163b782652c7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:49]([O:50][CH2:51][CH3:52])(=[O:53])[CH3:54].[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:28][N:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][n:35]1)[CH3:36].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[Cl:61][CH2:62][Cl:63].[ClH:37].[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1.[NH2:1][c:2]1[c:3]([CH:12]=[C:13]([C:14](=[O:15])[OH:16])[CH3:17])[cH:4][c:5]([O:10][CH3:11])[c:6]([O:8][CH3:9])[cH:7]1>>[NH2:1][c:2]1[c:3]([CH:12]=[C:13]([C:14]([O:15][c:24]2[cH:23][cH:22][c:21]([N+:18](=[O:19])[O-:20])[cH:26][cH:25]2)=[O:16])[CH3:17])[cH:4][c:5]([O:10][CH3:11])[c:6]([O:8][CH3:9])[cH:7]1