HRID674120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2320243

7-Bromo-2H-1,3-benzodioxole-5-carbaldehyde

C8H5BrO3

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

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

HCID86586032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d887dec71141098e29314aed304b8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][c:8]2[c:9]1[O:10][CH2:11][O:12]2.[C:24](=[O:25])([O-:26])[O-:27].[CH3:13][O:14][c:15]1[c:16]([B:21]([OH:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]1.[CH3:30][O:31][CH2:32][CH2:33][O:34][CH3:35].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[K+:28].[K+:29].[OH2:36].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:16]2[c:15]([O:14][CH3:13])[cH:20][cH:19][cH:18][cH:17]2)[cH:3][c:4]([CH:5]=[O:6])[cH:7][c:8]2[c:9]1[O:10][CH2:11][O:12]2