HRID119470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID69831

2-Bromo-5-methylthiophene

C5H5BrS

HCID53402575

(4'-Ethyl-3-fluoro[1,1'-biphenyl]-4-yl)boronic acid

C14H14BFO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(-c2ccc(-c3ccc(C)s3)c(F)c2)cc1

HCID58160695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfba671d9c2f421d9c082af730a232df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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