HRID1222871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

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：CC(C)(C)OC(=O)NC(CC1CCCCC1)C1CC(C(C)(C)O)C(=O)O1

HCID14483170

tert-Butyl {2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl}carbamate

C20H35NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86b8a22b995e46e09666077a43d10045
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: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][C:36]([CH3:37])=[O:38].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl-:39].[Li:1][CH2:2][CH2:3][CH2:4][CH3:5].[NH4+:40].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]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:36]([CH3:35])([CH3:37])[OH:38])[C:32](=[O:34])[O:33]1