HRID2125268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID592797

2-Chloro-4-hydroxybenzonitrile

C7H4ClNO

HCID59594803

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(CCc2ccc(C(F)(F)F)cc2)oc1COc1ccc(C#N)c(Cl)c1

HCID59594672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8728729207a4dc9bfed7de2a425f251
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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