HRID1220826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID57926113

2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BClNO2

HCID59578386

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1

HCID49819978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74af1e9ade8b41ba9702d5397a5bc044
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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