HRID1124059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

2 次

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID104810

Barium (II) ion

Ba+2

HCID4985744

2-Fluoro-3-methoxyphenylboronic acid

C7H8BFO3

HCID22327227

未命名化合物

PRODUCTS

产物

HCID22327239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d71982bd87434aaf96d1a5f619d15e37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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