HRID2154203

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

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID78428

5-Bromothiophene-2-carbaldehyde

C5H3BrOS

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=O)s3)c(F)c2)cc1

HCID58160682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4a16a51db604d559aca669c2e48d698
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:7]=[O:8])[s:6]1.[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH2:38]([OH:39])[CH3:40].[CH2:9]([CH3:10])[c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([F:26])[c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]2)[cH:15][cH:16]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1.[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([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)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:20]2[c:19]([F:26])[cH:18][c:17](-[c:14]3[cH:13][cH:12][c:11]([CH2:9][CH3:10])[cH:16][cH:15]3)[cH:22][cH:21]2)[cH:3][cH:4][c:5]([CH:7]=[O:8])[s:6]1