HRID1218533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID18840

Cyclopentane carboxylic acid

C6H10O2

HCID53916562

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(CCOCc1ccccc1)CC1(C(=O)O)CCCC1

HCID54551372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c79432ecfee74eab96b60a472d0a51bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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