HRID2135961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7047

Quinoline

C9H7N

HCID19660

Carbonate

CO3-2

HCID14991360

4-Bromo-2,6-dimethylquinoline

C11H10BrN

HCID22049643

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

HCID22721474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c382d7f9f014f1492d6a7db510be420
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:11][c:12]1[cH:13][c:14]([CH3:23])[n:15][c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][c:21]12.[C:24](=[O:25])([O-:26])[O-:27].[C:30](#[N:31])[c:32]1[cH:33][cH:34][c:35]([O:38][B:39]([OH:40])[OH:41])[cH:36][cH:37]1.[CH3:120][OH:121].[CH3:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[Na+:28].[Na+:29].[OH2:119].[cH:1]1[cH:2][c:3]2[c:4]([n:5][cH:6][cH:7][cH:8]2)[cH:9][cH:10]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:12]1(-[c:35]2[cH:34][cH:33][c:32]([C:30]#[N:31])[cH:37][cH:36]2)[cH:13][c:14]([CH3:23])[n:15][c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][c:21]12