HRID665744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：COC(=O)C=Cc1ccc(C2=C(Br)CCCc3ccccc32)cc1

HCID74063893

未命名化合物

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：COC(=O)C=Cc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1

HCID74063894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6749f136d81e47aca31fd81d2362e610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH:25]([OH:26])[OH:27].[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([Br:23])[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1)=[O:24].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([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)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][cH:8][c:9]([C:12]2=[C:13]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:14][CH2:15][CH2:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[cH:10][cH:11]1)=[O:24]