HRID1150603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734325

3-Cyanophenylboronic acid

C7H6BNO2

HCID10798146

3-Bromo-6-methoxy-2-methylpyridine

C7H8BrNO

PRODUCTS

生成物

HCID67492316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11defcea83754d92b4a7ea9872022042
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:12][c:13]1[c:14]([CH3:21])[n:15][c:16]([O:19][CH3:20])[cH:17][cH:18]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][cH:7][cH:8]1.[CH3:112][OH:113].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[Pd:111].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([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)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([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)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([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)[cH:106][cH:107][cH:108][cH:109][cH:110]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:13]2[c:14]([CH3:21])[n:15][c:16]([O:19][CH3:20])[cH:17][cH:18]2)[cH:6][cH:7][cH:8]1