HRID955610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CCCC(NC(c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID72366003

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

HCID178448936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fb829dd4ab942f7b82f1382740719c1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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