Models at Batista Lab

Task Execution Details

Model: Retrosynthesis: Model A

Created At: Apr 24, 2024 22:38

Last Status Change: Apr 24, 2024 22:40

Status:

Completed

Public Visibility:

Public

Parameters:

{
  "smiles": "C#CC1(C)CCCCC1=O",
  "beamSize": 5
}

Result:

{
  "smiles": [
    "CC1(C#C[Si](C)(C)C)CCCCC1=O>>C#CC1(C)CCCCC1=O",
    "C#CC1CCCCC1=O.CI>>C#CC1(C)CCCCC1=O",
    "O=C([O-])[O-].CC1(C=O)CCCCC1=O>>C#CC1(C)CCCCC1=O",
    "C#CC1(C)CCCCC1O>>C#CC1(C)CCCCC1=O",
    "C#CC1CCCCC1=O.CC(C)[N-]C(C)C>>C#CC1(C)CCCCC1=O"
  ]
}

Route:

CC1(C#C[Si](C)(C)C)CCCCC1=O>>C#CC1(C)CCCCC1=O

Route:

C#CC1CCCCC1=O.CI>>C#CC1(C)CCCCC1=O

Route:

O=C([O-])[O-].CC1(C=O)CCCCC1=O>>C#CC1(C)CCCCC1=O

Route:

C#CC1(C)CCCCC1O>>C#CC1(C)CCCCC1=O

Route:

C#CC1CCCCC1=O.CC(C)[N-]C(C)C>>C#CC1(C)CCCCC1=O