HRID1235314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID45079576

(5-Cyanopyridin-3-yl)boronic acid

C6H5BN2O2

结构：Cc1cc(C2(c3cccc(Br)c3)N=C(N)c3c(F)cccc32)cc(C)n1

HCID67418480

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2(c3cccc(-c4cncc(C#N)c4)c3)N=C(N)c3c(F)cccc32)cc(C)n1

HCID46206644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ce5b615eedf4048a8b565bc3d0689dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH3:26])[n:22][c:23]([CH3:25])[cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[C:27](#[N:28])[c:29]1[cH:30][c:31]([B:35]([OH:36])[OH:37])[cH:32][n:33][cH:34]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43]>>[c:2]1(-[c:31]2[cH:30][c:29]([C:27]#[N:28])[cH:34][n:33][cH:32]2)[cH:3][c:4]([C:8]2([c:19]3[cH:20][c:21]([CH3:26])[n:22][c:23]([CH3:25])[cH:24]3)[N:9]=[C:10]([NH2:18])[c:11]3[c:12]([F:17])[cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1