HRID1200352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID11101

2-Nitrobenzaldehyde

C7H5NO3

反应SMILES：COC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1

HCID1514280

tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

C13H23NO4

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：COC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1ccccc1[N+](=O)[O-]

HCID66598832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-279b538ba8e14b928cc69b5a63a28cf3
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

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