HRID297645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10855516

5-cyanofuran-2-carboxylic Acid

C6H3NO3

结构：CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3F)c2)CC1

HCID59128564

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(-c3ccccc3F)c2)CC1

HCID11682855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e17ead6ebec42a0b96c09e67783ff06
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:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([C:31](=[O:32])[OH:33])[o:30]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:34][C:35]([C:36]([Cl:37])=[O:38])=[O:39].[F:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[N+:14]([O-:15])=[O:16])[cH:4][cH:5][cH:6][cH:7]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[F:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:11][cH:12][c:13]2[NH:14][C:31]([c:29]2[cH:28][cH:27][c:26]([C:24]#[N:25])[o:30]2)=[O:32])[cH:4][cH:5][cH:6][cH:7]1