HRID1138761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID45079576

(5-Cyanopyridin-3-yl)boronic acid

C6H5BN2O2

结构：CC(C)(C)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(OS(=O)(=O)C(F)(F)F)ccc1O2

HCID87323354

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C#Cc1cnc2c(c1)C1(COC(N)=N1)c1cc(-c3cncc(C#N)c3)ccc1O2

HCID67242177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a03bedb0bf484642a62a09dc898be726
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:12](=[O:13])([O-:14])[O-:15].[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][n:7][cH:8]1.[F:18][C:19]([F:20])([F:21])[S:22]([O:23][c:24]1[cH:25][c:26]2[c:41]([cH:42][cH:43]1)[O:40][c:29]1[c:28]([cH:33][c:32]([C:34]#[C:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:31][n:30]1)[C:27]21[N:44]=[C:45]([NH2:48])[O:46][CH2:47]1)(=[O:49])=[O:50].[K+:16].[K+:17].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:57]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:24]2[cH:25][c:26]3[c:41]([cH:42][cH:43]2)[O:40][c:29]2[c:28]([cH:33][c:32]([C:34]#[C:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:31][n:30]2)[C:27]32[N:44]=[C:45]([NH2:48])[O:46][CH2:47]2)[cH:6][n:7][cH:8]1