HRID114969

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

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID61138

4-Pentenoic acid

C5H8O2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID519353

2-oxazolidinone, 4-(1-methylethyl)-

C6H11NO2

HCID21468707

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID13995908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-82e04c8ecd334590bece6afa906940a2
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:17]([Cl:18])(=[O:19])[C:20]([CH3:21])([CH3:22])[CH3:23].[C:24]([OH:25])(=[O:26])[CH2:27][CH2:28][CH:29]=[CH2:30].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:31][N:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH:50]([CH:51]1[CH2:52][O:53][C:54](=[O:55])[NH:56]1)[CH3:57].[CH:1]1([CH2:4][CH2:5][C:6](=[O:7])[N:8]2[C:9](=[O:16])[O:10][CH2:11][CH:12]2[CH:13]([CH3:14])[CH3:15])[CH2:2][CH2:3]1.[Cl-:58].[Li:38][CH2:39][CH2:40][CH2:41][CH3:42].[NH4+:59].[OH2:65]>>[CH:1](=[CH2:2])[CH2:4][CH2:5][C:6](=[O:7])[N:8]1[C:9](=[O:16])[O:10][CH2:11][CH:12]1[CH:13]([CH3:14])[CH3:15]