HRID155240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID602928

3-Isopropoxy-4-nitrobenzoic acid

C10H11NO5

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ccccc21

HCID178484288

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]

HCID67076401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f831a2af202e4741a9db12590ae9ee3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH:22]([CH3:23])[CH3:24])[CH3:25].[CH3:41][N:42]([C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[N+:54]([O-:55])=[N:56]1)[CH3:57].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][c:13]1[N+:14](=[O:15])[O-:16].[NH2:26][CH:27]1[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[OH2:58].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][c:7]([C:8](=[O:10])[NH:26][CH:27]2[CH2:28][CH2:29][N:30]([CH3:33])[CH2:31][CH2:32]2)[cH:11][cH:12][c:13]1[N+:14](=[O:15])[O-:16]