HRID314697

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

HCID2783130

4-Cyano-3-fluorophenylboronic acid

C7H5BFNO2

HCID67269008

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C#N)Cc1ccc(-c2ccc(C#N)c(F)c2)cc1

HCID76700729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-408be2c84b154daa9f023ebc7184ab28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:13](#[N:14])[CH:15]([CH2:16][c:17]1[cH:18][cH:19][c:20]([I:23])[cH:21][cH:22]1)[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[C:1](#[N:2])[c:3]1[c:4]([F:12])[cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[C:32](=[O:33])([O-:34])[O-:35].[K+:36].[K+:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:44]>>[C:1](#[N:2])[c:3]1[c:4]([F:12])[cH:5][c:6](-[c:20]2[cH:19][cH:18][c:17]([CH2:16][CH:15]([C:13]#[N:14])[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:22][cH:21]2)[cH:7][cH:8]1