HRID166526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID43120209

3-(Chloromethyl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole

C9H5ClF2N2O

结构：N#Cc1ccc2[nH]c(CCC(F)(F)F)cc2c1C(F)(F)F

HCID57800210

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2c(cc(CCC(F)(F)F)n2Cc2noc(-c3cc(F)cc(F)c3)n2)c1C(F)(F)F

HCID57800476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bf1762a930748ec9d1618f6263bf3a8
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:22](=[O:23])([O-:24])[O-:25].[CH3:43][C:44]#[N:45].[Cl:28][CH2:29][c:30]1[n:31][o:32][c:33](-[c:35]2[cH:36][c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]2)[n:34]1.[Cs+:26].[Cs+:27].[F:1][C:2]([c:3]1[c:4]2[cH:5][c:6]([CH2:14][CH2:15][C:16]([F:17])([F:18])[F:19])[nH:7][c:8]2[cH:9][cH:10][c:11]1[C:12]#[N:13])([F:20])[F:21]>>[F:1][C:2]([c:3]1[c:4]2[cH:5][c:6]([CH2:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:7]([CH2:29][c:30]3[n:31][o:32][c:33](-[c:35]4[cH:36][c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]4)[n:34]3)[c:8]2[cH:9][cH:10][c:11]1[C:12]#[N:13])([F:20])[F:21]