HRID283317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID605085

4-Fluoro-2-(trifluoromethyl)benzonitrile

C8H3F4N

HCID58934102

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(C#N)c(C(F)(F)F)c1

HCID59296163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9585c67e3af4854bbb8ffa651839763
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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