HRID205370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID66738661

未命名化合物

结构：CNC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID67342767

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

HCID17755151

5-[1-(4-Cyanophenyl)-1H-pyrazol-5-yl]-1,2-dihydro-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinecarboxamide

C25H18F3N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3c40dad43144fb3a72fa026ae290112
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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