HRID289438

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

HCID7239

1,2-Dichlorobenzene

C6H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

HCID619792

4-amino-3,5-dibromopyridine

C5H4Br2N2

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

HCID22267317

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c34d5437262402fb84465f0e3a31951
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH:16]([OH:17])[OH:18].[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([Br:9])[c:7]1[NH2:8].[C:10](=[O:11])([O-:12])[O-:13].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:19][c:20]1[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]1.[Na+:14].[Na+:15].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:23]2[cH:22][c:21]([Cl:26])[c:20]([Cl:19])[cH:25][cH:24]2)[cH:3][n:4][cH:5][c:6]([Br:9])[c:7]1[NH2:8]