HRID211346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID4992640

5-Formylpyridine-3-boronic acid pinacol ester

C12H16BNO3

HCID7010420

4-Bromo-2-chlorobenzonitrile

C7H3BrClN

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

HCID59578397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8426f7d141f4c4b98fb0eb1a3165ef5
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]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39]1.[CH3:11][C:12]1([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17][B:18]([c:19]2[cH:20][n:21][cH:22][c:23]([CH:24]=[O:25])[cH:26]2)[O:27]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([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)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([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)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:19]2[cH:20][n:21][cH:22][c:23]([CH:24]=[O:25])[cH:26]2)[cH:3][c:4]([Cl:10])[c:5]([C:6]#[N:7])[cH:8][cH:9]1