HRID158074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2736622

3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C10H6ClF3N2O

HCID67405155

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1noc(-c2cccc(C(F)(F)F)c2)n1

HCID57800274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba7a2f23d5834bc59749712b976c213d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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