{
  "route": {
    "id": "sa_7acf98cd7767d6a0c3539915",
    "signature": "7a1a1905eb1e1a5346601b214e358e898aaf38170aada927681bd3c907d0ced7",
    "contentHash": "13d43c88c99113304a0624f86652869dbf98f27ceef6be9da9f89e9151bb35e9",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_b3fef4d536734a7afb771214",
    "benchmarkSetId": "61e696668b63e77d7c2a29c0821768e1c383de8313852d6e995224859494442e",
    "targetId": "n5-05546",
    "moleculeId": "sa_1515b56f44c87b68de5d3909",
    "smiles": "Brc1ccc(CCN2CCCC2)cc1",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_1515b56f44c87b68de5d3909",
      "inchikey": "DCFGTROCEYJRAO-UHFFFAOYSA-N",
      "smiles": "Brc1ccc(CCN2CCCC2)cc1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "15730",
    "routeId": "sa_7acf98cd7767d6a0c3539915",
    "moleculeId": "sa_1515b56f44c87b68de5d3909",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_1515b56f44c87b68de5d3909",
      "inchikey": "DCFGTROCEYJRAO-UHFFFAOYSA-N",
      "smiles": "Brc1ccc(CCN2CCCC2)cc1"
    },
    "smiles": "Brc1ccc(CCN2CCCC2)cc1",
    "reactionStepId": "sa_67e6ed70c0321aeadc2e9dd4",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20110281842A1;0601;1128661\",\"rsmi\":\"Cc1ccc(S(=O)(=O)O[CH2:7][CH2:6][c:5]2[cH:4][cH:3][c:2]([Br:1])[cH:14][cH:13]2)cc1.[NH:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1>CC#N.CCN(CC)CC.CCOC(C)=O>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1\"},\"mapped_reaction_smiles\":\"Cc1ccc(S(=O)(=O)O[CH2:7][CH2:6][c:5]2[cH:4][cH:3][c:2]([Br:1])[cH:14][cH:13]2)cc1.[NH:8]1[CH2:9][CH2:10][CH2:11][CH2:12]1>CC#N.CCN(CC)CC.CCOC(C)=O>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1\"}",
    "reactionStep": {
      "id": "sa_67e6ed70c0321aeadc2e9dd4",
      "reactionHash": "ed1fbe3986101467fa36a7c765b4c76c7790238a1a43dc21354368f0ce64f9b4"
    },
    "children": [
      {
        "id": "15731",
        "routeId": "sa_7acf98cd7767d6a0c3539915",
        "moleculeId": "sa_62377f86fd21f04e8ff496ef",
        "parentId": "15730",
        "isLeaf": true,
        "molecule": {
          "id": "sa_62377f86fd21f04e8ff496ef",
          "inchikey": "RWRDLPDLKQPQOW-UHFFFAOYSA-N",
          "smiles": "C1CCNC1"
        },
        "smiles": "C1CCNC1",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "15732",
        "routeId": "sa_7acf98cd7767d6a0c3539915",
        "moleculeId": "sa_3d18e942185e2f811c52ac75",
        "parentId": "15730",
        "isLeaf": false,
        "molecule": {
          "id": "sa_3d18e942185e2f811c52ac75",
          "inchikey": "VOZBIRPGWMZHFK-UHFFFAOYSA-N",
          "smiles": "Cc1ccc(S(=O)(=O)OCCc2ccc(Br)cc2)cc1"
        },
        "smiles": "Cc1ccc(S(=O)(=O)OCCc2ccc(Br)cc2)cc1",
        "reactionStepId": "sa_ef16cf3317f9c9fd49dec65c",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20110281842A1;0599;1128660\",\"rsmi\":\"Cl[S:6]([c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:20][cH:19]1)(=[O:7])=[O:8].[OH:9][CH2:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]1>CCN(CC)CC.CCOC(C)=O.CN(C)c1ccncc1.ClCCl>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]2)[cH:19][cH:20]1\"},\"mapped_reaction_smiles\":\"Cl[S:6]([c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:20][cH:19]1)(=[O:7])=[O:8].[OH:9][CH2:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]1>CCN(CC)CC.CCOC(C)=O.CN(C)c1ccncc1.ClCCl>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]2)[cH:19][cH:20]1\"}",
        "reactionStep": {
          "id": "sa_ef16cf3317f9c9fd49dec65c",
          "reactionHash": "8310b2364e5ac804e268ed67d7d9206e3dd232e9a05563a458e0a35f5937665e"
        },
        "children": [
          {
            "id": "15733",
            "routeId": "sa_7acf98cd7767d6a0c3539915",
            "moleculeId": "sa_282b5626d601c4c6af172e24",
            "parentId": "15732",
            "isLeaf": true,
            "molecule": {
              "id": "sa_282b5626d601c4c6af172e24",
              "inchikey": "PMOSJSPFNDUAFY-UHFFFAOYSA-N",
              "smiles": "OCCc1ccc(Br)cc1"
            },
            "smiles": "OCCc1ccc(Br)cc1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "15734",
            "routeId": "sa_7acf98cd7767d6a0c3539915",
            "moleculeId": "sa_28189ad2d33238c7f987ecf5",
            "parentId": "15732",
            "isLeaf": true,
            "molecule": {
              "id": "sa_28189ad2d33238c7f987ecf5",
              "inchikey": "YYROPELSRYBVMQ-UHFFFAOYSA-N",
              "smiles": "Cc1ccc(S(=O)(=O)Cl)cc1"
            },
            "smiles": "Cc1ccc(S(=O)(=O)Cl)cc1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}