HRID2334577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID3265839

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)C(C(=O)OC)C(NC(=O)OC(C)(C)C)C(=O)OC

HCID178459214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-289262c7d15548c8b6189678553bff15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[O:13][CH3:14])[C:15](=[O:16])[O:17][CH3:18].[C:42]([CH2:43][CH3:44])(=[O:45])[c:46]1[nH:47][cH:48][cH:49][n:50]1.[CH2:37]([Li:38])[CH2:39][CH2:40][CH3:41].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH:19]([NH-:20])([CH3:21])[CH3:22].[CH:24]([NH:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:51].[Li+:23].[NH4+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[C:42]([CH2:43][CH3:44])=[O:45])[C:15](=[O:16])[O:17][CH3:18]