HRID2158186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75024

Methyl 2-hydroxy-2-methylpropionate

C5H10O3

HCID226731

diethyl 3-methyl-1h-pyrrole-2,4-dicarboxylate

C11H15NO4

结构：CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1

HCID21025175

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Oc1ccccc1Oc1ccc([N+](=O)[O-])cc1

HCID21025153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8b18a3211e442c49faa68c9803f4a1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([C:31]([CH3:32])([O:33][c:34]1[c:35]([O:40][c:41]2[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]2)[cH:36][cH:37][cH:38][cH:39]1)[CH3:50])=[O:51].[CH2:1]([O:2][C:3]([c:4]1[nH:5][cH:6][c:7]([C:8]([O:9][CH2:10][CH3:11])=[O:12])[c:13]1[CH3:14])=[O:15])[CH3:16].[OH:17][C:18]([CH3:19])([CH3:20])[C:21]([O:22][CH3:23])=[O:24]>>[CH3:25][O:29][C:30]([C:31]([CH3:32])([O:33][c:34]1[c:35]([O:40][c:41]2[cH:42][cH:43][c:44]([N+:47](=[O:48])[O-:49])[cH:45][cH:46]2)[cH:36][cH:37][cH:38][cH:39]1)[CH3:50])=[O:51]