HRID827213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID136198

2-Bromo-5-nitrobenzotrifluoride

C7H3BrF3NO2

HCID3696091

[4-(4-Pentylcyclohexyl)phenyl]boronic acid

C17H27BO2

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：CCCCCC1CCC(c2ccc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)CC1

HCID22465788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffedccf6cd754349a1899ea5ad643adb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1.[CH3:1][CH2:2][OH:3].[F:24][C:25]([c:26]1[c:27]([Br:35])[cH:28][cH:29][c:30]([N+:32](=[O:33])[O-:34])[cH:31]1)([F:36])[F:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:121].[cH:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18](-[c:27]3[c:26]([C:25]([F:24])([F:36])[F:37])[cH:31][c:30]([N+:32](=[O:33])[O-:34])[cH:29][cH:28]3)[cH:19][cH:20]2)[CH2:13][CH2:14]1