HRID169446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31374

Dimethylacetamide

C4H9NO

HCID11298077

(1-Propyl-1H-pyrazol-4-yl)boronic acid

C6H11BN2O2

HCID59179473

未命名化合物

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

结构：CCCn1cc(-c2cccc3nc(NC(=O)C4CC4)nn23)cn1

HCID59589786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e46d8524afb4b81920d645ca4fd2cb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2.[CH2:17]([CH2:18][CH3:19])[n:20]1[n:21][cH:22][c:23]([B:25]([OH:26])[OH:27])[cH:24]1.[CH3:113][C:114]([N:115]([CH3:116])[CH3:117])=[O:118].[K+:33].[K+:34].[K+:35].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[cH:111][cH:112]1>>[c:2]1(-[c:23]2[cH:22][n:21][n:20]([CH2:17][CH2:18][CH3:19])[cH:24]2)[cH:3][cH:4][cH:5][c:6]2[n:7]1[n:8][c:9]([NH:11][C:12](=[O:13])[CH:14]1[CH2:15][CH2:16]1)[n:10]2