HRID799825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2760077

1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5cc(Br)ccn45)c3)no2)C1

HCID71281208

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：COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5cc(-c6ccn(C)n6)ccn45)c3)no2)C1

HCID71281003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a2a5d7556445f086d215033e0f4b55
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16](-[c:21]3[n:22][o:23][c:24]([CH:26]4[CH2:27][N:28]([C:30](=[O:31])[O:32][CH3:33])[CH2:29]4)[n:25]3)[cH:17][cH:18][c:19]1[CH3:20])[cH:9][n:10]2.[CH3:34][n:35]1[n:36][c:37]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:38][cH:39]1.[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54].[O:132]=[CH:133][N:134]([CH3:135])[CH3:136].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[P:99]([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:37]2[n:36][n:35]([CH3:34])[cH:39][cH:38]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[c:8]([C:11](=[O:12])[NH:13][c:14]1[cH:15][c:16](-[c:21]3[n:22][o:23][c:24]([CH:26]4[CH2:27][N:28]([C:30](=[O:31])[O:32][CH3:33])[CH2:29]4)[n:25]3)[cH:17][cH:18][c:19]1[CH3:20])[cH:9][n:10]2