HRID121467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID817620

5-Bromo-2-nitropyridine

C5H3BrN2O2

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])nc2)CC1

HCID49840377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f2d082b8f0340238731e9407c2d1606
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[n:6][cH:7]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:11][C:12]1([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17][B:18]([C:19]2=[CH:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[O:32]1.[CH3:86][CH2:87][O:88][CH2:89][CH3:90].[Cs+:43].[Cs+:44].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:91].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1([C:19]2=[CH:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[cH:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[n:6][cH:7]1