HRID167294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID118533

4-Bromo-2-nitroanisole

C7H6BrNO3

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID22225668

Tetrahydro-N-methyl-2H-pyran-4-methanamine

C7H15NO

PRODUCTS

生成物

结构：COc1ccc(N(C)CC2CCOCC2)cc1[N+](=O)[O-]

HCID22736995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e6b5731cbc140aba7a4c963eca39e18
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][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:14][NH:15][CH2:16][CH:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[CH:23]1([P:24]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[ClH:13].[Cs+:52].[Cs+:53].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[Pd+2:60]>>[c:2]1([N:15]([CH3:14])[CH2:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[cH:3][c:4]([N+:10](=[O:11])[O-:12])[c:5]([O:8][CH3:9])[cH:6][cH:7]1