HRID1540014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773383

1-Bromo-4-fluoro-2-nitrobenzene

C6H3BrFNO2

结构：COc1ccc2c(c1)CCC(OS(=O)(=O)C(F)(F)F)=C2

HCID15330256

3,4-Dihydro-6-methoxy-2-naphthalenyl 1,1,1-trifluoromethanesulfonate

C12H11F3O4S

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccc(F)cc1[N+](=O)[O-]

HCID23087155

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCC(c1ccc(F)cc1[N+](=O)[O-])=C2

HCID23087411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b4c8bdb5d0c4ac3b61af0506d3f70f6
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+:9](=[O:10])[O-:11])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH2:12]([Sn:13]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:18][CH2:19][CH2:20][CH3:21])[c:22]1[cH:23][cH:24][c:25]([F:26])[cH:27][c:28]1[N+:29]([O-:30])=[O:31])[CH2:32][CH2:33][CH3:34].[F:35][C:36]([F:37])([F:38])[S:39]([O:40][C:41]1=[CH:42][c:43]2[cH:44][cH:45][c:46]([O:51][CH3:52])[cH:47][c:48]2[CH2:49][CH2:50]1)(=[O:53])=[O:54]>>[c:2]1([C:41]2=[CH:42][c:43]3[cH:44][cH:45][c:46]([O:51][CH3:52])[cH:47][c:48]3[CH2:49][CH2:50]2)[c:3]([N+:9](=[O:10])[O-:11])[cH:4][c:5]([F:8])[cH:6][cH:7]1