HRID299291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773330

2-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

HCID56973315

5-Bromo-2-(trifluoromethyl)pyridine-4-carbonitrile

C7H2BrF3N2

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：COc1ccc(-c2cnc(C(F)(F)F)cc2C#N)c(Cl)c1

HCID68472096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a22fab49932a4aa28ed0525493e0fa2a
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

[Br:1][c:2]1[cH:3][n:4][c:5]([C:10]([F:11])([F:12])[F:13])[cH:6][c:7]1[C:8]#[N:9].[C:26](=[O:27])([O-:28])[O-:29].[Cl:14][c:15]1[c:16]([B:23]([OH:24])[OH:25])[cH:17][cH:18][c:19]([O:21][CH3:22])[cH:20]1.[Na+:30].[Na+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[cH:114][cH:115]1>>[c:2]1(-[c:16]2[c:15]([Cl:14])[cH:20][c:19]([O:21][CH3:22])[cH:18][cH:17]2)[cH:3][n:4][c:5]([C:10]([F:11])([F:12])[F:13])[cH:6][c:7]1[C:8]#[N:9]