HRID675962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Cc1cc(C)cc(C(C)Nc2cc(F)ccc2[N+](=O)[O-])c1

HCID58707336

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(C(C)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])c1

HCID58707281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b560721c753648dcbaec894973cc66b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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