HRID118540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID280

Carbon dioxide

CO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID685610

未命名化合物

HCID53256761

2-Bromo-5-cyanobenzoic acid

C8H4BrNO2

PRODUCTS

生成物

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3Br)CC2)c(F)c1

HCID59793521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa34d04a4d3b48deb2f74348edf960ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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