HRID1571593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID584146

1-Methoxy-3-vinylbenzene

C9H10O

反应SMILES：CC(C)(C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-]

HCID26369829

tert-Butyl 4-bromo-2-nitrobenzoate

C11H12BrNO4

PRODUCTS

产物

反应SMILES：COc1cccc(C=Cc2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)c1

HCID67342988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bfc24684b01a4b81a014841742ece8be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:7][c:8]1[cH:9][c:10]([N+:21](=[O:22])[O-:23])[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1.[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:24](=[CH2:25])[c:26]1[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][cH:31]1.[OH2:50].[Pd+2:45]>>[c:8]1([CH:25]=[CH:24][c:26]2[cH:27][c:28]([O:32][CH3:33])[cH:29][cH:30][cH:31]2)[cH:9][c:10]([N+:21](=[O:22])[O-:23])[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1