HRID827494

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

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID2801329

2-Chloro-4-iodotoluene

C7H6ClI

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

HCID21651025

3-Chloro-4-methyl-1,1′-biphenyl

C13H11Cl

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce665f323b2348bcbb9132b97c53b426
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

[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:26][CH2:27][OH:28].[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[OH:10][B:11]([OH:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([P:60]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:7]1