HRID95754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID98969

Ethyl nipecotate

C8H15NO2

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

HCID66684127

4-(4-Bromo-3-fluorophenyl)pyridine

C11H7BrFN

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN(c2ccc(-c3ccncc3)cc2F)C1

HCID77183661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a1b5b26fad4faf84cbb408d3904133
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[c:3]([F:14])[cH:4][c:5](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:6][cH:7]1.[C:33]([P:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1-[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([CH3:51])([CH3:52])[CH3:53].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[ClH:15].[NH:16]1[CH2:17][CH:18]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:19][CH2:20][CH2:21]1.[Na+:32].[Pd+2:64]>>[c:2]1([N:16]2[CH2:17][CH:18]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:19][CH2:20][CH2:21]2)[c:3]([F:14])[cH:4][c:5](-[c:8]2[cH:9][cH:10][n:11][cH:12][cH:13]2)[cH:6][cH:7]1