HRID96553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1302

(+/-)-Naproxen

C14H14O3

HCID6344

Dichloromethane

CH2Cl2

HCID6480

2-Methyl-2-nitro-1,3-propanediol

C4H9NO4

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

PRODUCTS

生成物

结构：COc1ccc2cc(C(C)C(=O)OCC(C)(CO)[N+](=O)[O-])ccc2c1

HCID178487456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d2e399010ab4906b210cfbdbf9370e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]1[CH2:2][CH2:3][CH:4]([N:5]=[C:6]=[N:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:14][CH2:15]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:16][O:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][c:23]([CH:28]([C:29](=[O:30])[OH:31])[CH3:32])[cH:24][c:25]2[cH:26][cH:27]1.[Cl:42][CH2:43][Cl:44].[N+:33](=[O:34])([O-:35])[C:36]([CH2:37][OH:38])([CH2:39][OH:40])[CH3:41]>>[CH3:16][O:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][c:23]([CH:28]([C:29](=[O:30])[O:31][CH2:39][C:36]([N+:33](=[O:34])[O-:35])([CH2:37][OH:38])[CH3:41])[CH3:32])[cH:24][c:25]2[cH:26][cH:27]1