{
  "route": {
    "id": "sa_cf544ecbc4ef56e63902eba1",
    "signature": "a4152a0279c5975d8b6bbbd0dd3b551b683297747bfc2d45acd20255b68157ad",
    "contentHash": "a20aa3ef463d251e53f79272a9fd0a4c34bd290236a1d7842beb130815fb6afc",
    "length": 3,
    "isConvergent": false
  },
  "target": {
    "id": "sa_f6bb2cad20e51f8a8e87ea5a",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-04019",
    "moleculeId": "sa_092b2d4252321d7b7774e577",
    "smiles": "O=Cc1cnc(OCC(F)(F)F)cn1",
    "routeLength": 3,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_092b2d4252321d7b7774e577",
      "inchikey": "PAJGZWMIHQOHML-UHFFFAOYSA-N",
      "smiles": "O=Cc1cnc(OCC(F)(F)F)cn1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 3
  },
  "rootNode": {
    "id": "7139",
    "routeId": "sa_cf544ecbc4ef56e63902eba1",
    "moleculeId": "sa_092b2d4252321d7b7774e577",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_092b2d4252321d7b7774e577",
      "inchikey": "PAJGZWMIHQOHML-UHFFFAOYSA-N",
      "smiles": "O=Cc1cnc(OCC(F)(F)F)cn1"
    },
    "smiles": "O=Cc1cnc(OCC(F)(F)F)cn1",
    "reactionStepId": "sa_b04f3eddadc0ad41183640d7",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20100216816A1;0484;933675\",\"rsmi\":\"Cl[c:6]1[cH:5][n:4][c:3]([CH:2]=[O:1])[cH:14][n:13]1.[OH:7][CH2:8][C:9]([F:10])([F:11])[F:12]>Cl.[Na]>[O:1]=[CH:2][c:3]1[n:4][cH:5][c:6]([O:7][CH2:8][C:9]([F:10])([F:11])[F:12])[n:13][cH:14]1\"},\"mapped_reaction_smiles\":\"Cl[c:6]1[cH:5][n:4][c:3]([CH:2]=[O:1])[cH:14][n:13]1.[OH:7][CH2:8][C:9]([F:10])([F:11])[F:12]>Cl.[Na]>[O:1]=[CH:2][c:3]1[n:4][cH:5][c:6]([O:7][CH2:8][C:9]([F:10])([F:11])[F:12])[n:13][cH:14]1\"}",
    "reactionStep": {
      "id": "sa_b04f3eddadc0ad41183640d7",
      "reactionHash": "146de536fe2cfd7c4e35c5bd1f35f477016b9f4704056693516ff7c237d2c7de"
    },
    "children": [
      {
        "id": "7140",
        "routeId": "sa_cf544ecbc4ef56e63902eba1",
        "moleculeId": "sa_5f31e0fa48946ffcfc9b5d06",
        "parentId": "7139",
        "isLeaf": true,
        "molecule": {
          "id": "sa_5f31e0fa48946ffcfc9b5d06",
          "inchikey": "RHQDFWAXVIIEBN-UHFFFAOYSA-N",
          "smiles": "OCC(F)(F)F"
        },
        "smiles": "OCC(F)(F)F",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "7141",
        "routeId": "sa_cf544ecbc4ef56e63902eba1",
        "moleculeId": "sa_9800185ddb2f67661ad1c8f0",
        "parentId": "7139",
        "isLeaf": false,
        "molecule": {
          "id": "sa_9800185ddb2f67661ad1c8f0",
          "inchikey": "UIKDIRUDGAKSGG-UHFFFAOYSA-N",
          "smiles": "O=Cc1cnc(Cl)cn1"
        },
        "smiles": "O=Cc1cnc(Cl)cn1",
        "reactionStepId": "sa_d4e13f965188cbc1f6fd1ad0",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20100216816A1;0483;933674\",\"rsmi\":\"[OH:1][CH2:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1>ClC(Cl)Cl.O=[Mn]=O>[O:1]=[CH:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1\"},\"mapped_reaction_smiles\":\"[OH:1][CH2:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1>ClC(Cl)Cl.O=[Mn]=O>[O:1]=[CH:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1\"}",
        "reactionStep": {
          "id": "sa_d4e13f965188cbc1f6fd1ad0",
          "reactionHash": "8f2b5b8174429d71c11dda47e720e6d240863ef377cf14ee6ef6c5bcaf92fd4c"
        },
        "children": [
          {
            "id": "7142",
            "routeId": "sa_cf544ecbc4ef56e63902eba1",
            "moleculeId": "sa_fbf85895958923cbeb77b733",
            "parentId": "7141",
            "isLeaf": false,
            "molecule": {
              "id": "sa_fbf85895958923cbeb77b733",
              "inchikey": "YUTQYZGRAJOIJV-UHFFFAOYSA-N",
              "smiles": "OCc1cnc(Cl)cn1"
            },
            "smiles": "OCc1cnc(Cl)cn1",
            "reactionStepId": "sa_245e8e50dde73020edd18649",
            "template": null,
            "metadata": "{\"annotations\":{\"ID\":\"US20100216816A1;0483;933673\",\"rsmi\":\"C[O:1][C:2](=O)[c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1>C1CCOC1.CC(C)C[AlH]CC(C)C.CCO.O=C(O)C(O)C(O)C(=O)O.[K+].[Na+]>[OH:1][CH2:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1\"},\"mapped_reaction_smiles\":\"C[O:1][C:2](=O)[c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1>C1CCOC1.CC(C)C[AlH]CC(C)C.CCO.O=C(O)C(O)C(O)C(=O)O.[K+].[Na+]>[OH:1][CH2:2][c:3]1[n:4][cH:5][c:6]([Cl:7])[n:8][cH:9]1\"}",
            "reactionStep": {
              "id": "sa_245e8e50dde73020edd18649",
              "reactionHash": "c6f0e8f13d78d29f8bb05af9440a0b1a7e8e1c1658e36ab6a564c04fde98f2f7"
            },
            "children": [
              {
                "id": "7143",
                "routeId": "sa_cf544ecbc4ef56e63902eba1",
                "moleculeId": "sa_5bf777050d183b7d50c3da1c",
                "parentId": "7142",
                "isLeaf": true,
                "molecule": {
                  "id": "sa_5bf777050d183b7d50c3da1c",
                  "inchikey": "CVVMLRFXZPKILB-UHFFFAOYSA-N",
                  "smiles": "COC(=O)c1cnc(Cl)cn1"
                },
                "smiles": "COC(=O)c1cnc(Cl)cn1",
                "reactionStepId": null,
                "template": null,
                "metadata": null,
                "reactionStep": null,
                "children": []
              }
            ]
          }
        ]
      }
    ]
  }
}