HRID1545474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID88561

Propanoic acid, 1,1-dimethylethyl ester

C7H14O2

HCID22013569

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID22013577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c8639124b8a4d84a4fed30f684d8aba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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