HRID208994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11894

Benzoic acid, 2-bromo-, methyl ester

C8H7BrO2

HCID2734390

3,4,5-Trimethoxyphenylboronic acid

C9H13BO5

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

HCID59785703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1fb19022444427a8bff01abbdab11d1
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

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