HRID320560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID5943

Carbon tetrachloride

CCl4

HCID7761

Diethyl propanedioate

C7H12O4

HCID8028

Tetrahydrofuran

C4H8O

HCID5462224

Magnesium

HCID21928615

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1

HCID19000155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2048aab96b574a72a2c8d2af2366b25d
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

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