HRID1219086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2783399

3-Fluoro-4-nitrobenzonitrile

C7H3FN2O2

HCID58409113

未命名化合物

PRODUCTS

生成物

结构：CCOC1CCC(N2CCC(Nc3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1

HCID66741147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82572ce9f72348638940de691bf04a72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:24]([CH3:25])[O:26][CH:27]1[CH2:28][CH2:29][CH:30]([N:33]2[CH2:34][CH2:35][CH:36]([NH2:39])[CH2:37][CH2:38]2)[CH2:31][CH2:32]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[ClH:22].[ClH:23].[F:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12]>>[c:2]1([NH:39][CH:36]2[CH2:35][CH2:34][N:33]([CH:30]3[CH2:29][CH2:28][CH:27]([O:26][CH2:24][CH3:25])[CH2:32][CH2:31]3)[CH2:38][CH2:37]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12]