HRID188767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID105144

Palladium(2+)

Pd+2

反应SMILES：C=Cc1cc(F)c([N+](=O)[O-])c2nc(-c3ccc(P(=O)(OCC)OCC)o3)n(CC(C)C)c12

HCID54409667

未命名化合物

HCID135436526

Methylnitronitrosoguanidine

C2H5N5O3

PRODUCTS

产物

反应SMILES：CCOP(=O)(OCC)c1ccc(-c2nc3c([N+](=O)[O-])c(F)cc(C4CC4)c3n2CC(C)C)o1

HCID53981592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a63ee509469940b899385eb8923548d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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