HRID87791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID8071

未命名化合物

HCID4198739

2,4-Dimethylphenylboronic acid

C8H11BO2

HCID4574913

未命名化合物

HCID68581990

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：CCCN(CCC)c1cccc2nc(-c3ccc(C)cc3C)cn12

HCID58896463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0250d6d6ee4240418c8959d083a43416
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:10]([CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH3:16])[cH:7][cH:8][cH:9]2)[cH:17]1.[C:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH3:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][c:23]([CH3:25])[cH:24]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[K+:34].[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>>[c:2]1(-[c:20]2[c:19]([CH3:18])[cH:24][c:23]([CH3:25])[cH:22][cH:21]2)[n:3][c:4]2[n:5]([c:6]([N:10]([CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH3:16])[cH:7][cH:8][cH:9]2)[cH:17]1