HRID212691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID978

4-Aminobenzoic acid

C7H7NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID1385867

N,N-Diethylethanaminium

C6H16N+

结构：O=C(O)CNC(=O)OCc1ccc([N+](=O)[O-])cc1

HCID12187147

N-(p-nitrobenzyloxycarbonyl)glycine

C10H10N2O6

PRODUCTS

生成物

结构：O=C(CNC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)O)cc1

HCID21248999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37f920dff8fe4975bf48b74ba1b735ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:25]([NH+:26]([CH2:27][CH3:28])[CH2:29][CH3:30])[CH3:31].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:42][CH2:43][Cl:44].[N+:7](=[O:8])([O-:9])[c:10]1[cH:11][cH:12][c:13]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[cH:23][cH:24]1.[NH2:32][c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1>>[N+:7](=[O:8])([O-:9])[c:10]1[cH:11][cH:12][c:13]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:22])[NH:32][c:33]2[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]2)[cH:23][cH:24]1