HRID97239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID7855

Acrylonitrile

C3H3N

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID316378

Di-tert-butylphenylphosphine

C14H23P

HCID2769405

3,5-Bis(trifluoromethyl)chlorobenzene

C8H3ClF6

HCID10774245

α-Cyclohexylcyclohexanemethanamine

C13H25N

PRODUCTS

产物

HCID2736176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ef8c9af655c34bd795e3f287834ee260
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:1]=[CH:2][C:3]#[N:4].[CH3:59][C:60]([N:61]([CH3:62])[CH3:63])=[O:64].[CH:35]1([CH:36]([NH2:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[F:20][C:21]([c:22]1[cH:23][c:24]([Cl:32])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:33])[F:34].[OH2:58].[Pd+2:53].[c:5]1([P:6]([C:7]([CH3:8])([CH3:9])[CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH:1](=[CH:2][C:3]#[N:4])[c:24]1[cH:23][c:22]([C:21]([F:20])([F:33])[F:34])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]1