HRID176353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID57443272

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C13H19BO3

HCID57443341

未命名化合物

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

HCID86635469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e9cf1ea13244086811c78dd31631fdd
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:18][c:19]1[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][CH3:31])[c:22]([CH:23]=[O:24])[cH:25][cH:26]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[ClH:40].[N:32]#[N:33].[Na+:38].[Na+:39].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1-[c:19]1[cH:20][c:21]([O:27][CH2:28][CH2:29][CH2:30][CH3:31])[c:22]([CH:23]=[O:24])[cH:25][cH:26]1