HRID102139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID178418339

Butyllithium

C4H9Li

结构：CC(C)C1COC(=O)N1C(=O)C(CC(=O)OC(C)(C)C)Cc1ccccc1

HCID178439739

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(Cc1ccccc1)C(=O)OCc1ccccc1

HCID14213077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19c1024fc89742eb9a6a24869f947159
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

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