HRID1152710

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

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：FC(F)c1nc2ccccc2n1-c1nc(Cl)cc(N2CCOCC2)n1

HCID44249259

未命名化合物

PRODUCTS

生成物

结构：FC(F)c1nc2ccccc2n1-c1nc(-c2cncnc2)cc(N2CCOCC2)n1

HCID49869214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41e45d4661e444dab2ee0a8256c911b5
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

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