Synthesis routes of Pramiracetam

Pramiracetam

カタログ番号 B000526

: 68497-62-1

分子量: 269.38 g/mol

InChIキー: ZULJGOSFKWFVRX-UHFFFAOYSA-N

注意: 研究専用です。人間または獣医用ではありません。

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Procedure details

Name

CC(C)N(CCN)C(C)C

Quantity

Extracted from reaction SMILES

Type

reactant

Reaction Step One

Name

CCOC(=O)CN1CCCC1=O

Quantity

Extracted from reaction SMILES

Type

reactant

Reaction Step One

Name

CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C

Identifiers

REACTION_SMILES

[CH:13]([CH3:14])([CH3:15])[N:16]([CH2:17][CH2:18][NH2:19])[CH:20]([CH3:21])[CH3:22].[O:1]=[C:2]1[N:3]([CH2:7][C:8]([O:10][CH2:9][CH3:11])=[O:12])[CH2:4][CH2:5][CH2:6]1>>[O:1]=[C:2]1[N:3]([CH2:7][C:8](=[O:10])[NH:19][CH2:18][CH2:17][N:16]([CH:13]([CH3:14])[CH3:15])[CH:20]([CH3:21])[CH3:22])[CH2:4][CH2:5][CH2:6]1

Inputs

Step One

Name	CC(C)N(CCN)C(C)C
Quantity	Extracted from reaction SMILES
Type	reactant
Smiles	CC(C)N(CCN)C(C)C

Name	CCOC(=O)CN1CCCC1=O
Quantity	Extracted from reaction SMILES
Type	reactant
Smiles	CCOC(=O)CN1CCCC1=O

Outcomes

Product

Name	CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C
Type	product
Smiles	CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C

Source

Open Reaction Database (ORD)

Description

The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks.