HRID940239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID23123945

未命名化合物

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCc2ccc(Cl)c(NCCCC3(c4ccccc4)OCCO3)c2CC1)C(F)(F)F

HCID86622858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20e56b722f50471a8f3c95924b30afa5
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:117]([O-:118])(=[O:119])[CH3:120].[C:122]([O-:123])(=[O:124])[CH3:125].[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[Cs+:46].[Cs+:47].[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd+2:121].[Pd:61].[Pd:62].[c:27]1([C:33]2([CH2:38][CH2:39][CH2:40][NH2:41])[O:34][CH2:35][CH2:36][O:37]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([NH:41][CH2:40][CH2:39][CH2:38][C:33]2([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:34][CH2:35][CH2:36][O:37]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2