HRID117738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID520706

4-Bromo-3-nitrobenzotrifluoride

C7H3BrF3NO2

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(C(F)(F)F)cc1[N+](=O)[O-]

HCID23087363

未命名化合物

PRODUCTS

生成物

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

HCID23087467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d839954c63644158f31eac8ac586a55
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]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[CH2:15]([Sn:16]([CH2:17][CH2:18][CH2:19][CH3:20])([CH2:21][CH2:22][CH2:23][CH3:24])[c:25]1[cH:26][cH:27][c:28]([C:29]([F:30])([F:31])[F:32])[cH:33][c:34]1[N+:35]([O-:36])=[O:37])[CH2:38][CH2:39][CH3:40].[F:41][C:42]([F:43])([F:44])[S:45]([O:46][C:47]1=[CH:48][c:49]2[cH:50][cH:51][c:52]([O:57][CH3:58])[cH:53][c:54]2[CH2:55][CH2:56]1)(=[O:59])=[O:60]>>[c:2]1([C:47]2=[CH:48][c:49]3[cH:50][cH:51][c:52]([O:57][CH3:58])[cH:53][c:54]3[CH2:55][CH2:56]2)[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1