HRID296691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID2762531

Iodomethylcyclopentane

C6H11I

HCID12069505

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

HCID12069506

Methyl 4-chloro-α-(cyclopentylmethyl)-3-nitrobenzeneacetate

C15H18ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad981658c8474be793ba3f148f34a21a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][O:14][C:15]([CH2:16][c:17]1[cH:18][c:19]([N+:24](=[O:25])[O-:26])[c:20]([Cl:23])[cH:21][cH:22]1)=[O:27].[CH3:40][N:41]1[CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[C:47]1=[O:48].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:28][CH2:29][CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1>>[CH3:13][O:14][C:15]([CH:16]([c:17]1[cH:18][c:19]([N+:24](=[O:25])[O-:26])[c:20]([Cl:23])[cH:21][cH:22]1)[CH2:29][CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1)=[O:27]