HRID209476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID58207879

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

HCID58208011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-433a0ada75a344ad8175fd3ace97c7c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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