HRID283276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID520948

3-Fluoro-4-nitrophenol

C6H4FNO3

HCID58931435

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1NC(=O)OCc1ccccc1

HCID58931261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6535162a04c48c291be6f2e16c5c31b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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