HRID1135385

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID81129

Benzaldehyde, 2-bromo-

C7H5BrO

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

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

HCID4321315

2-(3-thienyl)benzaldehyde

C11H8OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fb47db11b0e46c49b4868c465988c66
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

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