HRID1570239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

结构：NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(OC(F)F)cc12

HCID67438255

未命名化合物

PRODUCTS

生成物

结构：NC1=NC2(COC1)c1cc(-c3cccnc3F)ccc1Oc1cnc(OC(F)F)cc12

HCID67438868

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf8aefcad4cf489baf59534654187bd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[O:16][c:7]1[c:6]([cH:11][c:10]([O:12][CH:13]([F:14])[F:15])[n:9][cH:8]1)[C:5]21[CH2:20][O:21][CH2:22][C:23]([NH2:25])=[N:24]1.[F:26][c:27]1[n:28][cH:29][cH:30][cH:31][c:32]1[B:33]([OH:34])[OH:35].[K+:41].[K+:42].[K+:43].[P:36]([O-:37])([O-:38])([O-:39])=[O:40]>>[c:2]1(-[c:32]2[c:27]([F:26])[n:28][cH:29][cH:30][cH:31]2)[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[O:16][c:7]1[c:6]([cH:11][c:10]([O:12][CH:13]([F:14])[F:15])[n:9][cH:8]1)[C:5]21[CH2:20][O:21][CH2:22][C:23]([NH2:25])=[N:24]1