HRID2133825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734325

3-Cyanophenylboronic acid

C7H6BNO2

HCID10729589

6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one

C11H12BrNO

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：CC1(C)CC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21

HCID9965399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6aec06509b243e7b4ebd6425ed4c264
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:12][c:13]1[cH:14][c:15]2[c:20]([cH:21][cH:22]1)[NH:19][C:18](=[O:23])[CH2:17][C:16]2([CH3:24])[CH3:25].[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][cH:7][cH:8]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[K+:30].[K+:31].[OH2:116].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([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)[cH:107][cH:108]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[NH:19][C:18](=[O:23])[CH2:17][C:16]3([CH3:24])[CH3:25])[cH:6][cH:7][cH:8]1