HRID2143244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID67602

1-Bromo-3,5-bis(trifluoromethyl)benzene

C8H3BrF6

HCID98210

3-Pyrrolidinol

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

PRODUCTS

产物

HCID75245196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cc339f19fb5c42c5ba4d2d5f41649856
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:69](=[O:70])([O-:71])[O-:72].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[ClH:16].[Cs+:73].[Cs+:74].[F:1][C:2]([c:3]1[cH:4][c:5]([Br:13])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15].[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[OH:17][CH:18]1[CH2:19][NH:20][CH2:21][CH2:22]1.[Pd+2:82].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[c:40]2-[c:41]2[c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[cH:48][cH:49][c:50]2[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>>[F:1][C:2]([c:3]1[cH:4][c:5]([N:20]2[CH2:19][CH:18]([OH:17])[CH2:22][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:14])[F:15]