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1-Benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde (HCID 19971475)|Huagongshe
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Compound
1-Benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
HCID
19971475
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)[Si](C)(C)OC1CC(C=O)N(Cc2ccccc2)C1
InChIKey
ZNYZKQIQCVAVLU-UHFFFAOYSA-N
Molecular formula
C18H29NO2Si
Average molar mass
319.5 g/mol
Names & identifiers
Preferred name
1-Benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
IUPAC
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carbaldehyde
Names & synonyms
SCHEMBL9220204
Database identifiers
PubChem CID
19971475
Properties
Computed structural properties
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
372
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Related reactions
7 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
180551
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
290066
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
686068
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
805067
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
952464
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1567546
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2145902
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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