HRID2334906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID59256694

未命名化合物

反应SMILES：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

产物

反应SMILES：Cc1nc(-c2ccccc2)c2cccc(OC(C)C)c2n1

HCID59256649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d1a9ad9ba0843a88d4360f70e200de5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][CH2:33][OH:34].[Cl:1][c:2]1[n:3][c:4]([CH3:16])[n:5][c:6]2[c:7]([O:12][CH:13]([CH3:14])[CH3:15])[cH:8][cH:9][cH:10][c:11]12.[Na+:30].[Na+:31].[OH:17][B:18]([OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[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:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:3][c:4]([CH3:16])[n:5][c:6]2[c:7]([O:12][CH:13]([CH3:14])[CH3:15])[cH:8][cH:9][cH:10][c:11]12