HRID140117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID21577

1-Naphthaleneacetic acid, 4-bromo-

C12H9BrO2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

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

HCID22462533

4-(4-Pyridinyl)-1-naphthaleneacetic acid

C17H13NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0250e1847a2c431986c445432ee13201
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:12][C:13](=[O:14])[OH:15])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[C:25](=[O:26])([O-:27])[OH:28].[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[Na+:29].[OH2:30].[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.[n:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1>>[c:2]1(-[c:19]2[cH:18][cH:17][n:16][cH:21][cH:20]2)[cH:3][cH:4][c:5]([CH2:12][C:13](=[O:14])[OH:15])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12