HRID161986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID996

Phenol

C6H6O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID61668

Boronic acid

H3BO2

HCID316783

Methyl 4-Bromophenylacetate

C9H9BrO2

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

HCID54022783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d012dd75dc04fb3bed252bc0c53d7f7
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

[BH:21]([OH:22])[OH:23].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:6][cH:7]1.[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH2:39]([CH2:40][O:41][CH3:42])[O:43][CH3:44].[Cl-:37].[K+:18].[K+:19].[K+:20].[Na+:38].[OH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[P:13]([O-:14])([O-:15])([O-:16])=[O:17].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1(-[c:26]2[c:25]([OH:24])[cH:30][cH:29][cH:28][cH:27]2)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[O:11][CH3:12])[cH:6][cH:7]1