HRID179248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：COc1cc(-n2ccc(Cl)cc2=O)ccc1OCC(C)(C)O

HCID58580294

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ccc(-c3ccc(OC(F)(F)F)cc3)cc2=O)ccc1OCC(C)(C)O

HCID46911146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20799b7d0ed54745bed2f7a1fafcf450
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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