Nefiracetam
Cat. No. B1678012
M. Wt: 246.30 g/mol
InChI Key: NGHTXZCKLWZPGK-UHFFFAOYSA-N
Attention: For research use only. Not for human or veterinary use.
Procedure details
Identifiers
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REACTION_SMILES
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[CH3:23][O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[Cl:9][CH2:10][C:11](=[O:12])[NH:13][c:14]1[c:15]([CH3:21])[cH:16][cH:17][cH:18][c:19]1[CH3:20].[NH2-:2].[NH:3]1[C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1.[Na:1].[OH2:22]>>[N:3]1([CH2:10][C:11](=[O:12])[NH:13][c:14]2[c:15]([CH3:21])[cH:16][cH:17][cH:18][c:19]2[CH3:20])[C:4](=[O:8])[CH2:5][CH2:6][CH2:7]1
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Inputs
Step One
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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COC(C)(C)C
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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Cc1cccc(C)c1NC(=O)CCl
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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[NH2-]
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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O=C1CCCN1
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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[Na]
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Name
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Quantity
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Extracted from reaction SMILES
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Type
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reactant
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Smiles
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O
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Outcomes
Product
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Name
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Type
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product
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Smiles
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Cc1cccc(C)c1NC(=O)CN1CCCC1=O
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Source
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Source
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Open Reaction Database (ORD) |
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Description
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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. |
