HRID1224493

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

结构：FC(F)(F)c1cc(-c2nc(CCl)no2)cc(C(F)(F)F)c1

HCID2780957

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

C11H5ClF6N2O

HCID67405155

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

HCID86620673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f334617f18504c81bd3c9d2a4b73143c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[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.[CH3:46][C:47]#[N:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cs+:44].[Cs+:45].[F:19][C:20]([c:21]1[cH:22][c:23](-[c:31]2[n:32][c:33]([CH2:36][Cl:37])[n:34][o:35]2)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1)([F:38])[F:39]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:36][c:33]2[n:32][c:31](-[c:23]3[cH:22][c:21]([C:20]([F:19])([F:38])[F:39])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24]3)[o:35][n:34]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