HRID176745

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

HCID2724516

1-Bromo-3-fluoro-4-iodobenzene

C6H3BrFI

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

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

HCID58447799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5272959cf9eb40f28f2e5b2774283e44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([I:8])[cH:6][cH:7]1.[C:20](=[O:21])([O-:22])[O-:23].[CH3:110][CH2:111][OH:112].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[F:10][c:11]1[n:12][cH:13][cH:14][c:15]([B:17]([OH:18])[OH:19])[cH:16]1.[Na+:24].[Na+:25].[OH2:113].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([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)([P:58]([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)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([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)[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)[cH:108][cH:109]1>>[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5](-[c:15]2[cH:14][cH:13][n:12][c:11]([F:10])[cH:16]2)[cH:6][cH:7]1