HRID314299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：COc1ccc(CN2C(=O)CC2C2COC(C)(C)O2)c(OC)c1

HCID70454492

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)C(C(C)O)C2C2COC(C)(C)O2)c(OC)c1

HCID178490848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53cec247e58244cfbf78ac005cefd7af
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

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