HRID298706

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

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID44755210

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

C13H15BFNO2

HCID59578386

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)NC(c1cncc(-c2ccc(C#N)cc2F)c1)C1CC1

HCID49820126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab37f5288bbd4c5e951f1d15c0594b0f
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

[Br:19][c:20]1[cH:21][c:22]([CH:26]([NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH:33]2[CH2:34][CH2:35]2)[cH:23][n:24][cH:25]1.[C:36](=[O:37])([O-:38])[O-:39].[F:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[B:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]1.[Na+:40].[Na+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[Pd:47]([Cl:48])[Cl:49].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[F:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1-[c:20]1[cH:21][c:22]([CH:26]([NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH:33]2[CH2:34][CH2:35]2)[cH:23][n:24][cH:25]1