HRID184629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID219633

2-Amino-3-nitrobenzoic acid

C7H6N2O4

HCID10969060

Benzyl N,N'-dicyclohexylimidocarbamate

C20H30N2O

PRODUCTS

生成物

结构：Nc1c(C(=O)OCc2ccccc2)cccc1[N+](=O)[O-]

HCID67244884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab50f59b4ba4c9e8dd3c74a5050a690
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

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