HRID2331569

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

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID3977284

4-Octyloxyphenylboronic acid

C14H23BO3

HCID23273378

2-CHLORO-6-FLUORO-PYRAZINE

C4H2ClFN2

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

HCID21804634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce15619ed6ce4529b4773716aaa50b63
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

[CH2:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[O:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[CH3:33][CH2:34][OH:35].[Cl:1][c:2]1[n:3][c:4]([F:8])[cH:5][n:6][cH:7]1.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[OH2:119].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]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:2]1(-[c:21]2[cH:20][cH:19][c:18]([O:17][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[cH:23][cH:22]2)[n:3][c:4]([F:8])[cH:5][n:6][cH:7]1