(R)-3-(methylamino)-1-phenylpropan-1-ol
Número de catálogo B041025
Peso molecular: 165.23 g/mol
Clave InChI: XXSDCGNHLFVSET-SNVBAGLBSA-N
Atención: Solo para uso de investigación. No para uso humano o veterinario.
Procedure details
Name
COCNCCC(O)c1ccccc1
Quantity
Extracted from reaction SMILES
Type
reactant
Reaction Step One
Name
Identifiers
|
REACTION_SMILES
|
[CH3:15][OH:16].[CH3:1][O:2][CH2:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
CO
|
|
Name
|
COCNCCC(O)c1ccccc1
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
COCNCCC(O)c1ccccc1
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CNCCC(O)c1ccccc1
|
Source
|
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. |
Procedure details
Name
COCNCCC(O)c1ccccc1
Quantity
Extracted from reaction SMILES
Type
reactant
Reaction Step One
Name
Identifiers
|
REACTION_SMILES
|
[CH3:15][OH:16].[CH3:1][O:2][CH2:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
CO
|
|
Name
|
COCNCCC(O)c1ccccc1
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
COCNCCC(O)c1ccccc1
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CNCCC(O)c1ccccc1
|
Source
|
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. |
Procedure details
Name
COCNCCC(O)c1ccccc1
Quantity
Extracted from reaction SMILES
Type
reactant
Reaction Step One
Name
Identifiers
|
REACTION_SMILES
|
[CH3:15][OH:16].[CH3:1][O:2][CH2:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:3][NH:4][CH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
|
Inputs
Step One
|
Name
|
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
CO
|
|
Name
|
COCNCCC(O)c1ccccc1
|
|
Quantity
|
Extracted from reaction SMILES
|
|
Type
|
reactant
|
|
Smiles
|
COCNCCC(O)c1ccccc1
|
Outcomes
Product
|
Name
|
|
|
Type
|
product
|
|
Smiles
|
CNCCC(O)c1ccccc1
|
Source
|
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. |
