HRID179027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate Ion

CO3-2

HCID849421

R-56109

C12H13FN2O

HCID10423230

4(3-bromopropoxy)-3-methoxybenzonitrile

C11H12BrNO2

PRODUCTS

产物

HCID10047113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-afdd8c957d464756ac69fe189cc1ec38
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

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