HRID293345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID785

Hydroquinone

C6H6O2

HCID6338

Vinyl chloride

C2H3Cl

HCID16028

Tetrabutylammonium

C16H36N+

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID316378

Di-tert-butylphenylphosphine

C14H23P

HCID10774245

α-Cyclohexylcyclohexanemethanamine

C13H25N

HCID11859045

未命名化合物

PRODUCTS

生成物

HCID85151240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e368668b1b4348eea35a68038ef4651f
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-:54].[Br:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[n:4][n:5]([CH3:8])[c:6]1[CH3:7].[C:13]([P:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([CH3:25])([CH3:26])[CH3:27].[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH2:55]([N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[CH3:81][C:82]([N:83]([CH3:84])[CH3:85])=[O:86].[CH:28]1([CH:29]([NH2:30])[CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[CH:50](=[CH2:51])[Cl:52].[ClH:53].[OH:42][c:43]1[cH:44][cH:45][c:46]([OH:47])[cH:48][cH:49]1.[Pd+2:76]>>[c:2]1([CH:51]=[CH:50][Cl:52])[c:3]([C:9]([F:10])([F:11])[F:12])[n:4][n:5]([CH3:8])[c:6]1[CH3:7]