HRID702186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

结构：NC1=NC2(CCO1)c1cc(-c3cccnc3F)ccc1Oc1ncc(Br)cc12

HCID58465884

未命名化合物

PRODUCTS

生成物

结构：NC1=NC2(CCO1)c1cc(-c3cccnc3F)ccc1Oc1ncc(-c3ccnc(F)c3)cc12

HCID53390811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5ce1de9a8574fce8bdba3ab3ebf416c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:19][c:20]1[cH:21][c:22]2[c:23]([n:24][cH:25]1)[O:26][c:27]1[cH:28][cH:29][c:30](-[c:40]3[c:41]([F:46])[n:42][cH:43][cH:44][cH:45]3)[cH:31][c:32]1[C:33]21[N:34]=[C:35]([NH2:39])[O:36][CH2:37][CH2:38]1.[CH3:54][OH:55].[Cl:56][CH2:57][Cl:58].[F:9][c:10]1[n:11][cH:12][cH:13][c:14]([B:16]([OH:17])[OH:18])[cH:15]1.[K+:6].[K+:7].[K+:8].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:47].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[F:9][c:10]1[n:11][cH:12][cH:13][c:14](-[c:20]2[cH:21][c:22]3[c:23]([n:24][cH:25]2)[O:26][c:27]2[cH:28][cH:29][c:30](-[c:40]4[c:41]([F:46])[n:42][cH:43][cH:44][cH:45]4)[cH:31][c:32]2[C:33]32[N:34]=[C:35]([NH2:39])[O:36][CH2:37][CH2:38]2)[cH:15]1