HRID168885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID62652

未命名化合物

HCID70700

Dipivaloylmethane

C11H20O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID123051

2,4-Difluorophenol

C6H4F2O

HCID57531230

未命名化合物

PRODUCTS

生成物

结构：O=c1ccn2cc(Oc3ccc(F)cc3F)ccc2c1-c1c(F)cccc1F

HCID16749631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f68ac12339747b3b20652b00e09228c
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

[Br:1][c:2]1[cH:3][n:4]2[cH:5][cH:6][c:7](=[O:20])[c:8](-[c:12]3[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]3[F:18])[c:9]2[cH:10][cH:11]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:30][C:31]([CH3:32])([C:33](=[O:34])[CH2:35][C:36](=[O:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[CH3:42].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cs+:47].[Cs+:48].[Cu:62][Cl:63].[F:21][c:22]1[c:23]([OH:29])[cH:24][cH:25][c:26]([F:28])[cH:27]1>>[c:2]1([O:29][c:23]2[c:22]([F:21])[cH:27][c:26]([F:28])[cH:25][cH:24]2)[cH:3][n:4]2[cH:5][cH:6][c:7](=[O:20])[c:8](-[c:12]3[c:13]([F:19])[cH:14][cH:15][cH:16][c:17]3[F:18])[c:9]2[cH:10][cH:11]1