HRID143295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID8007

Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CC2CC(C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12

HCID53923553

未命名化合物

PRODUCTS

生成物

结构：CCCCNc1cc2c(cc1[N+](=O)[O-])C1CC2CN(C(=O)OC(C)(C)C)C1

HCID69030373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-297a05209ca84b178a422d6304d401a8
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[c:11]3[cH:12][c:13]([N+:23](=[O:24])[O-:25])[c:14]([N+:20]([O-:21])=[O:22])[cH:15][c:16]3[CH:17]([CH2:18]1)[CH2:19]2.[CH2:26]([CH2:27][CH2:28][CH3:29])[NH2:30].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[NH3:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[c:11]3[cH:12][c:13]([N+:23](=[O:24])[O-:25])[c:14]([NH:20][CH2:26][CH2:27][CH2:28][CH3:29])[cH:15][c:16]3[CH:17]([CH2:18]1)[CH2:19]2