HRID1541467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID12507

Benzene, 1-ethenyl-4-methoxy-

C9H10O

HCID79288

4-Bromo-3-nitroanisole

C7H6BrNO3

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

PRODUCTS

生成物

结构：COc1ccc(C=Cc2ccc(OC)cc2[N+](=O)[O-])cc1

HCID66626783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95d64b595cde4b59b3823be2a48fac74
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:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1-[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([CH3:50])([CH3:51])[CH3:52].[CH3:13][O:14][c:15]1[cH:16][cH:17][c:18]([CH:19]=[CH2:20])[cH:21][cH:22]1.[CH3:53][C:54]#[N:55].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[Pd+2:56]>>[c:2]1([CH:20]=[CH:19][c:18]2[cH:17][cH:16][c:15]([O:14][CH3:13])[cH:22][cH:21]2)[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1