HRID167245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2782672

4-Fluoro-2-methoxyphenylboronic acid

C7H8BFO3

HCID22337825

4-Bromo-2-(trifluoromethyl)benzonitrile

C8H3BrF3N

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：COc1cc(F)ccc1-c1ccc(C#N)c(C(F)(F)F)c1

HCID22337824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-717cfab2040349caa044dcefbe289e02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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