HRID1219519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

结构：C=[CH][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID81998

Ethynyltributylstannane

C14H30Sn

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID17832538

Ethyl 3-bromo-2-fluorobenzoate

C9H8BrFO2

PRODUCTS

生成物

HCID68451554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be857b11997b47929456d39e5e4e4ea6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:13])[c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1.[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH2:14]([CH2:15][CH2:27][CH3:28])[Sn:16]([CH2:17][CH2:18][CH2:19][CH3:20])([CH2:21][CH2:22][CH2:23][CH3:24])[CH:25]=[CH2:26].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[F-:42].[K+:43].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[OH2:105].[Pd:49].[Pd:50]>>[c:2]1([CH:14]=[CH2:15])[c:3]([F:13])[c:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[cH:10][cH:11][cH:12]1