HRID2129127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID9990776

2-(Chloromethyl)-4-nitro-1,3-benzoxazole

C8H5ClN2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(Cc2nc3c([N+](=O)[O-])cccc3o2)CC1

HCID59302730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fac6ff55af6b45b687ae7d12e7e0ed9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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