HRID159881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7288

3-Pentanone

C5H10O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC(C)(C)OC(=O)NC(CC1CCCCC1)C1CCC(=O)O1

HCID14076769

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(O)(CC)C1CC(C(CC2CCCCC2)NC(=O)OC(C)(C)C)OC1=O

HCID178459036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c700947efd7d43de9d6e6b4512a4c3cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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