HRID2345922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

HCID7020874

5-Bromo-2-iodobenzonitrile

C7H3BrIN

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

HCID58447673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0315cfc179a74fcca6c73ed57392c3c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([I:10])[c:6]([C:7]#[N:8])[cH:9]1.[C:21](=[O:22])([O-:23])[O-:24].[CH3:111][CH2:112][OH:113].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[F:11][c:12]1[n:13][cH:14][cH:15][c:16]([B:18]([OH:19])[OH:20])[cH:17]1.[Na+:25].[Na+:26].[OH2:114].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[cH:109][cH:110]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:16]2[cH:15][cH:14][n:13][c:12]([F:11])[cH:17]2)[c:6]([C:7]#[N:8])[cH:9]1