output.json

{
  "image_title": "Selected Examples",
  "reactions": [
    {
      "reaction_id": "0_1",
      "reactants": [
        {
          "smiles": "*C([H])=O",
          "label": "1"
        },
        {
          "smiles": "*C([H])=O",
          "label": "2"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "61 - 99%"
        }
      ],
      "products": [
        {
          "smiles": "*C(=O)C(*)O",
          "label": "3"
        }
      ]
    },
    {
      "reaction_id": "1_1",
      "reactants": [
        {
          "smiles": "O=CCCc1ccccc1",
          "label": "1a"
        },
        {
          "smiles": "COc1ccc(C=O)cc1",
          "label": "2a"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "99%"
        }
      ],
      "products": [
        {
          "smiles": "COc1ccc(C(O)C(=O)CCc2ccccc2)cc1",
          "label": "3a"
        }
      ],
      "additional_info": []
    },
    {
      "reaction_id": "2_1",
      "reactants": [
        {
          "smiles": "O=CCCc1ccccc1",
          "label": "1b"
        },
        {
          "smiles": "O=Cc1ccccc1Br",
          "label": "2b"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "89%"
        }
      ],
      "products": [
        {
          "smiles": "O=C(CCc1ccccc1)C(O)c1ccccc1Br",
          "label": "3b"
        }
      ],
      "additional_info": []
    },
    {
      "reaction_id": "3_1",
      "reactants": [
        {
          "smiles": "O=CCCc1ccccc1",
          "label": "1c"
        },
        {
          "smiles": "O=Cc1ccccc1",
          "label": "2c"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "84%"
        }
      ],
      "products": [
        {
          "smiles": "O=C(CCc1ccccc1)C(O)c1ccccc1",
          "label": "3c"
        }
      ],
      "additional_info": []
    },
    {
      "reaction_id": "4_1",
      "reactants": [
        {
          "smiles": "O=CCCc1ccccc1",
          "label": "1d"
        },
        {
          "smiles": "COC(=O)c1ccc(C=O)cc1",
          "label": "2d"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "61%"
        }
      ],
      "products": [
        {
          "smiles": "COC(=O)c1ccc(C(O)C(=O)CCc2ccccc2)cc1",
          "label": "3d"
        }
      ],
      "additional_info": []
    },
    {
      "reaction_id": "5_1",
      "reactants": [
        {
          "smiles": "CC(C)C=O",
          "label": "1e"
        },
        {
          "smiles": "O=Cc1ccccc1",
          "label": "2e"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "73%"
        }
      ],
      "products": [
        {
          "smiles": "CC(C)C(=O)C(O)c1ccccc1",
          "label": "3e"
        }
      ],
      "additional_info": []
    },
    {
      "reaction_id": "6_1",
      "reactants": [
        {
          "smiles": "CC=O",
          "label": "1f"
        },
        {
          "smiles": "O=Cc1ccccc1",
          "label": "2f"
        }
      ],
      "condition": [
        {
          "role": "reagent",
          "text": "5 mol% G31",
          "smiles": "*N1=CN2CCCCC2=N1",
          "label": "G31"
        },
        {
          "role": "reagent",
          "text": "iPr2NEt (1 equiv)",
          "smiles": "CC(C)N(C)C"
        },
        {
          "role": "solvent",
          "text": "CH2Cl2",
          "smiles": "ClCCl"
        },
        {
          "role": "temperature",
          "text": "70 \u00b0C"
        },
        {
          "role": "yield",
          "text": "68%"
        }
      ],
      "products": [
        {
          "smiles": "CC(=O)C(O)c1ccccc1",
          "label": "3f"
        }
      ],
      "additional_info": []
    }
  ]
}