HRID163972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID21072609

3-[(5-Bromopyrimidin-2-yl)oxy]-1-azabicyclo[2.2.2]octane

C11H14BrN3O

结构：CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

HCID59737239

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cnc(OC3CN4CCC3CC4)nc2)cc1[N+](=O)[O-]

HCID178452688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1207797b7aeb42879b0139c19d40ccb3
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][n:4][c:5]([O:8][CH:9]2[CH2:10][N:11]3[CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16]3)[n:6][cH:7]1.[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][c:24]1[c:25]([N+:39](=[O:40])[O-:41])[cH:26][c:27]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:28][cH:29]1)=[O:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[c:2]1(-[c:27]2[cH:26][c:25]([N+:39](=[O:40])[O-:41])[c:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:42])[cH:29][cH:28]2)[cH:3][n:4][c:5]([O:8][CH:9]2[CH2:10][N:11]3[CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16]3)[n:6][cH:7]1