HRID90691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID689082

2-chloro-8-methylquinoline-3-carbaldehyde

C11H8ClNO

HCID3294524

2-Fluoro-6-methoxyphenylboronic acid

C7H8BFO3

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

HCID57707819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a69ae4178ca45eb9964a8cfd71802b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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