HRID197383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11894

Benzoic acid, 2-bromo-, methyl ester

C8H7BrO2

HCID21940015

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

HCID4325150

methyl 2-(4-formylphenyl)benzoate

C15H12O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b7ea19d32c140cab71f9bff64f1b962
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

[CH3:13][O:14][C:15]([c:16]1[c:17]([Br:22])[cH:18][cH:19][cH:20][cH:21]1)=[O:23].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:9][B:10]([OH:11])[OH:12])[cH:7][cH:8]1.[K+:29].[K+:30].[K+:31].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([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)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[cH:112][cH:113]1>>[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6](-[c:17]2[c:16]([C:15]([O:14][CH3:13])=[O:23])[cH:21][cH:20][cH:19][cH:18]2)[cH:7][cH:8]1