HRID947210

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID67673

o-Fluoroiodobenzene

C6H4FI

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID58508624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CCc2ccccc2)cc1Nc1ccccc1F

HCID68960172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4bf868634ef469d93d68b8af5ed4c06
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:128]([O-:129])(=[O:130])[CH3:131].[C:133]([O-:134])(=[O:135])[CH3:136].[C:65](=[O:66])([O-:67])[O-:68].[CH3:137][CH2:138][O:139][C:140](=[O:141])[CH3:142].[CH3:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][c:29]([CH:30]([CH3:31])[CH3:32])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[ClH:71].[Cs+:69].[Cs+:70].[F:1][c:2]1[c:3]([I:8])[cH:4][cH:5][cH:6][cH:7]1.[NH2:43][c:44]1[c:45]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][c:55]([CH2:57][CH2:58][c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:56]1.[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd+2:132].[Pd:72].[Pd:73]>>[F:1][c:2]1[c:3]([NH:43][c:44]2[c:45]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][c:55]([CH2:57][CH2:58][c:59]3[cH:60][cH:61][cH:62][cH:63][cH:64]3)[cH:56]2)[cH:4][cH:5][cH:6][cH:7]1