HRID1142623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID23546919

(2-Methoxypyridin-4-yl)boronic acid

C6H8BNO3

结构：CN1CCN(c2ccc(Nc3ncc(Br)n4ncnc34)cc2)CC1

HCID57590000

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：COc1cc(-c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)c3ncnn23)ccn1

HCID57590084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e06bffa4e8174ca5a27f0c8a6cec5385
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2.[C:36](=[O:37])([O-:38])[O-:39].[CH3:25][O:26][c:27]1[n:28][cH:29][cH:30][c:31]([B:33]([OH:34])[OH:35])[cH:32]1.[Na+:40].[Na+:41].[O:119]=[CH:120][N:121]([CH3:122])[CH3:123].[O:124]1[CH2:125][CH2:126][O:127][CH2:128][CH2:129]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:31]2[cH:30][cH:29][n:28][c:27]([O:26][CH3:25])[cH:32]2)[cH:3][n:4][c:5]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:16][cH:17]2)[c:6]2[n:7]1[n:8][cH:9][n:10]2