HRID297245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734387

2-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC

HCID11213555

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(-c5ccccc5C(F)(F)F)c4)n3n2)cc(OC)c1OC

HCID11307165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b959518db814ae29514a2f206623f09
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

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