HRID1150272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID599474

Isoquinoline-5-boronic acid

C9H8BNO2

结构：O=C(Nc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1)c1cccs1

HCID86611254

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2cc(-c3cccc4cnccc34)ccc2c1)c1cccs1

HCID11990812

N-[6-(Isoquinolin-5-yl)naphthalen-2-yl]thiophene-2-carboxamide

C24H16N2OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc2cacb584474b5cb2524b154cbfce52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[Cl:52][CH2:53][Cl:54].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][c:12]([NH:17][C:18](=[O:19])[c:20]3[s:21][cH:22][cH:23][cH:24]3)[cH:13][c:14]2[cH:15][cH:16]1)(=[O:25])=[O:26].[K+:44].[K+:45].[OH2:55].[cH:27]1[n:28][cH:29][cH:30][c:31]2[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][c:36]12>>[c:7]1(-[c:32]2[c:31]3[cH:30][cH:29][n:28][cH:27][c:36]3[cH:35][cH:34][cH:33]2)[cH:8][c:9]2[cH:10][cH:11][c:12]([NH:17][C:18](=[O:19])[c:20]3[s:21][cH:22][cH:23][cH:24]3)[cH:13][c:14]2[cH:15][cH:16]1