HRID681589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID25067266

5-Bromo-2-methyl-3-nitropyridine

C6H5BrN2O2

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1

HCID59405002

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(C2=CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1[N+](=O)[O-]

HCID59404975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a8860f3c0ca4171b716b8fa99471d40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:25][c:26]1[cH:27][c:28]([N+:33](=[O:34])[O-:35])[c:29]([CH3:32])[n:30][cH:31]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH3:23])([CH3:24])[C:11]([B:14]2[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]2)=[CH:12][CH2:13]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[K+:41].[K+:42].[K+:43].[OH2:44].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([CH3:23])([CH3:24])[C:11]([c:26]2[cH:27][c:28]([N+:33](=[O:34])[O-:35])[c:29]([CH3:32])[n:30][cH:31]2)=[CH:12][CH2:13]1