HRID1535228

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

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

HCID14917125

2,8-Dichloroquinoline-3-carbaldehyde

C10H5Cl2NO

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

HCID57707884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd67096d1e294ed491e596c3619191f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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