HRID941773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

反应SMILES：O=C(O)C1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

HCID58118009

未命名化合物

反应SMILES：CNCC1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID62648464

未命名化合物

PRODUCTS

产物

反应SMILES：CN(CC1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(=O)C1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1

HCID44194889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6fd5821c25914e42af6fa5031ade76d1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH3:40][N:41]([CH3:42])[C:43]([O:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1)=[N+:54]([CH3:55])[CH3:56].[CH3:57][NH:58][CH2:59][CH:60]1[CH2:61][CH2:62][N:63]([c:66]2[cH:67][cH:68][c:69]([C:72]([F:73])([F:74])[F:75])[cH:70][cH:71]2)[CH2:64][CH2:65]1.[CH3:79][S:80]([CH3:81])=[O:82].[CH3:83][C:84]#[N:85].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:76][CH2:77][Cl:78].[F:33][P-:34]([F:35])([F:36])([F:37])([F:38])[F:39].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:20]([F:21])([F:22])[F:23])[cH:6][c:7]([NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[OH:19])[CH2:15][CH2:16]2)[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:20]([F:21])([F:22])[F:23])[cH:6][c:7]([NH:10][CH:11]2[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[N:58]([CH3:57])[CH2:59][CH:60]3[CH2:61][CH2:62][N:63]([c:66]4[cH:67][cH:68][c:69]([C:72]([F:73])([F:74])[F:75])[cH:70][cH:71]4)[CH2:64][CH2:65]3)[CH2:15][CH2:16]2)[cH:8][cH:9]1