{
  "route": {
    "id": "sa_7e1547f7e9f402e2a942265a",
    "signature": "2101c43e19d77b5669b6b83345175b2e0304aa057dc19696bf22f80961a8234f",
    "contentHash": "eefc3103e07079a75292d4190f54d94bd221c396205df9ca17cc17531a085d90",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_9325d2174c59d160842ac0a9",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-09904",
    "moleculeId": "sa_8bfdbf1bc56e19f4ec1d2673",
    "smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1I",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_8bfdbf1bc56e19f4ec1d2673",
      "inchikey": "FCKXTOBJVDDINM-UHFFFAOYSA-N",
      "smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1I"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "9145",
    "routeId": "sa_7e1547f7e9f402e2a942265a",
    "moleculeId": "sa_8bfdbf1bc56e19f4ec1d2673",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_8bfdbf1bc56e19f4ec1d2673",
      "inchikey": "FCKXTOBJVDDINM-UHFFFAOYSA-N",
      "smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1I"
    },
    "smiles": "Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1I",
    "reactionStepId": "sa_83e388e3d29c2def3953118d",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20040019038A1;1416;128117\",\"rsmi\":\"O=[C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][C:15]#[N:16].[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH:7][NH2:8])[cH:17][cH:18]1>CCO.Cl.[Na+].O>[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6](-[n:7]2[n:8][c:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:14][c:15]2[NH2:16])[cH:17][cH:18]1\"},\"mapped_reaction_smiles\":\"O=[C:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][C:15]#[N:16].[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH:7][NH2:8])[cH:17][cH:18]1>CCO.Cl.[Na+].O>[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6](-[n:7]2[n:8][c:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:14][c:15]2[NH2:16])[cH:17][cH:18]1\"}",
    "reactionStep": {
      "id": "sa_83e388e3d29c2def3953118d",
      "reactionHash": "0f98fac9c0998a141f90d837930c8a38553258570959e069ba0a88770465e061"
    },
    "children": [
      {
        "id": "9146",
        "routeId": "sa_7e1547f7e9f402e2a942265a",
        "moleculeId": "sa_4839af884bde47e63c1af9d1",
        "parentId": "9145",
        "isLeaf": false,
        "molecule": {
          "id": "sa_4839af884bde47e63c1af9d1",
          "inchikey": "DBDHGKACBPLVQI-UHFFFAOYSA-N",
          "smiles": "Cc1ccc(NN)cc1I"
        },
        "smiles": "Cc1ccc(NN)cc1I",
        "reactionStepId": "sa_73cfcd0bca5f7fb495f3087e",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20040019038A1;1415;128116\",\"rsmi\":\"O=[N:8]O.[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH2:7])[cH:9][cH:10]1>Cl.Cl[Sn]Cl.O.O.O.[Na+].[Na+].O>[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH:7][NH2:8])[cH:9][cH:10]1\"},\"mapped_reaction_smiles\":\"O=[N:8]O.[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH2:7])[cH:9][cH:10]1>Cl.Cl[Sn]Cl.O.O.O.[Na+].[Na+].O>[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([NH:7][NH2:8])[cH:9][cH:10]1\"}",
        "reactionStep": {
          "id": "sa_73cfcd0bca5f7fb495f3087e",
          "reactionHash": "be74946ac5ac7ebfabdc4b7214e3ad539ad71f69c7d46669a44b125099e5acc4"
        },
        "children": [
          {
            "id": "9147",
            "routeId": "sa_7e1547f7e9f402e2a942265a",
            "moleculeId": "sa_81c0446884d57a7253ff6b54",
            "parentId": "9146",
            "isLeaf": true,
            "molecule": {
              "id": "sa_81c0446884d57a7253ff6b54",
              "inchikey": "IOVCWXUNBOPUCH-UHFFFAOYSA-N",
              "smiles": "[O-]N=[OH+]"
            },
            "smiles": "O=NO",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "9148",
            "routeId": "sa_7e1547f7e9f402e2a942265a",
            "moleculeId": "sa_6777df156af8a7a7204d9f69",
            "parentId": "9146",
            "isLeaf": true,
            "molecule": {
              "id": "sa_6777df156af8a7a7204d9f69",
              "inchikey": "RRUDMHNAMZFNEK-UHFFFAOYSA-N",
              "smiles": "Cc1ccc(N)cc1I"
            },
            "smiles": "Cc1ccc(N)cc1I",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      },
      {
        "id": "9149",
        "routeId": "sa_7e1547f7e9f402e2a942265a",
        "moleculeId": "sa_15a5b920931a3539af244a09",
        "parentId": "9145",
        "isLeaf": true,
        "molecule": {
          "id": "sa_15a5b920931a3539af244a09",
          "inchikey": "MXZMACXOMZKYHJ-UHFFFAOYSA-N",
          "smiles": "CC(C)(C)C(=O)CC#N"
        },
        "smiles": "CC(C)(C)C(=O)CC#N",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      }
    ]
  }
}