HRID97176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID22015770

2-(Bromomethyl)-5-fluorobenzonitrile

C8H5BrFN

结构：COC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1

HCID54724193

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3C#N)cc2=O)c1

HCID22050793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca06316810447fab172e59b65ccb189
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][CH2:2][c:3]1[c:4]([C:5]#[N:6])[cH:7][c:8]([F:11])[cH:9][cH:10]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:12][c:13]1[cH:14][c:15](=[O:31])[n:16](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28][c:29]2[CH3:30])[c:17]([CH3:19])[cH:18]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH2:2]([c:3]1[c:4]([C:5]#[N:6])[cH:7][c:8]([F:11])[cH:9][cH:10]1)[O:12][c:13]1[cH:14][c:15](=[O:31])[n:16](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28][c:29]2[CH3:30])[c:17]([CH3:19])[cH:18]1