{
  "route": {
    "id": "sa_f83b16e78b0430a82f6644db",
    "signature": "25460264e1be9779b3be776ba6e97713c3d6da3d956e584672d056af8e767db2",
    "contentHash": "159aa2ce3513b8bf719e7cb1c6dc44b1d68c37808e02853611772356ebd36c87",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_4a7ef2faa9d9cb1a73090be1",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-06101",
    "moleculeId": "sa_7e88fea9ffccc54bcde11673",
    "smiles": "N#CCc1c[nH]c2c(Cl)ncc(Br)c12",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_7e88fea9ffccc54bcde11673",
      "inchikey": "KHWMDCORWZAVCP-UHFFFAOYSA-N",
      "smiles": "N#CCc1c[nH]c2c(Cl)ncc(Br)c12"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "7916",
    "routeId": "sa_f83b16e78b0430a82f6644db",
    "moleculeId": "sa_7e88fea9ffccc54bcde11673",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_7e88fea9ffccc54bcde11673",
      "inchikey": "KHWMDCORWZAVCP-UHFFFAOYSA-N",
      "smiles": "N#CCc1c[nH]c2c(Cl)ncc(Br)c12"
    },
    "smiles": "N#CCc1c[nH]c2c(Cl)ncc(Br)c12",
    "reactionStepId": "sa_3ce0ceebdb690d848975bee2",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20100093759A1;0489;863159\",\"rsmi\":\"CN(C)[CH2:3][c:4]1[cH:5][nH:6][c:7]2[c:8]([Cl:9])[n:10][cH:11][c:12]([Br:13])[c:14]12.[N:1]#[CH:2]>CN(C)C=O.O.[K+]>[N:1]#[C:2][CH2:3][c:4]1[cH:5][nH:6][c:7]2[c:8]([Cl:9])[n:10][cH:11][c:12]([Br:13])[c:14]12\"},\"mapped_reaction_smiles\":\"CN(C)[CH2:3][c:4]1[cH:5][nH:6][c:7]2[c:8]([Cl:9])[n:10][cH:11][c:12]([Br:13])[c:14]12.[N:1]#[CH:2]>CN(C)C=O.O.[K+]>[N:1]#[C:2][CH2:3][c:4]1[cH:5][nH:6][c:7]2[c:8]([Cl:9])[n:10][cH:11][c:12]([Br:13])[c:14]12\"}",
    "reactionStep": {
      "id": "sa_3ce0ceebdb690d848975bee2",
      "reactionHash": "ab5f697705b8bfe4568957e155d7732bf0277dd84b1608109444441090ffa074"
    },
    "children": [
      {
        "id": "7917",
        "routeId": "sa_f83b16e78b0430a82f6644db",
        "moleculeId": "sa_4eed48f0ecbfe4876612dd06",
        "parentId": "7916",
        "isLeaf": false,
        "molecule": {
          "id": "sa_4eed48f0ecbfe4876612dd06",
          "inchikey": "BKYPODPUJJVXEC-UHFFFAOYSA-N",
          "smiles": "CN(C)Cc1c[nH]c2c(Cl)ncc(Br)c12"
        },
        "smiles": "CN(C)Cc1c[nH]c2c(Cl)ncc(Br)c12",
        "reactionStepId": "sa_39011f73e39776cf08023897",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20100093759A1;0488;863158\",\"rsmi\":\"O=[CH2:4].[CH3:1][NH:2][CH3:3].[cH:5]1[cH:6][nH:7][c:8]2[c:9]([Cl:10])[n:11][cH:12][c:13]([Br:14])[c:15]12>CC(=O)O>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][nH:7][c:8]2[c:9]([Cl:10])[n:11][cH:12][c:13]([Br:14])[c:15]12\"},\"mapped_reaction_smiles\":\"O=[CH2:4].[CH3:1][NH:2][CH3:3].[cH:5]1[cH:6][nH:7][c:8]2[c:9]([Cl:10])[n:11][cH:12][c:13]([Br:14])[c:15]12>CC(=O)O>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][nH:7][c:8]2[c:9]([Cl:10])[n:11][cH:12][c:13]([Br:14])[c:15]12\"}",
        "reactionStep": {
          "id": "sa_39011f73e39776cf08023897",
          "reactionHash": "da5cdb9d67c133f2d8b5e2423f8419accb443c5651bd718a7815ec1575134ccc"
        },
        "children": [
          {
            "id": "7918",
            "routeId": "sa_f83b16e78b0430a82f6644db",
            "moleculeId": "sa_0ea658acce0923a132a412df",
            "parentId": "7917",
            "isLeaf": true,
            "molecule": {
              "id": "sa_0ea658acce0923a132a412df",
              "inchikey": "PIXLSAWNYQEIJG-UHFFFAOYSA-N",
              "smiles": "Clc1ncc(Br)c2cc[nH]c12"
            },
            "smiles": "Clc1ncc(Br)c2cc[nH]c12",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "7919",
            "routeId": "sa_f83b16e78b0430a82f6644db",
            "moleculeId": "sa_e2676e5c7c9d7a020ed1780e",
            "parentId": "7917",
            "isLeaf": true,
            "molecule": {
              "id": "sa_e2676e5c7c9d7a020ed1780e",
              "inchikey": "ROSDSFDQCJNGOL-UHFFFAOYSA-N",
              "smiles": "CNC"
            },
            "smiles": "CNC",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "7920",
            "routeId": "sa_f83b16e78b0430a82f6644db",
            "moleculeId": "sa_fa48b0311f9ecb906b2132fe",
            "parentId": "7917",
            "isLeaf": true,
            "molecule": {
              "id": "sa_fa48b0311f9ecb906b2132fe",
              "inchikey": "WSFSSNUMVMOOMR-UHFFFAOYSA-N",
              "smiles": "C=O"
            },
            "smiles": "C=O",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      },
      {
        "id": "7921",
        "routeId": "sa_f83b16e78b0430a82f6644db",
        "moleculeId": "sa_5995aff3aeff665a1f3e984d",
        "parentId": "7916",
        "isLeaf": true,
        "molecule": {
          "id": "sa_5995aff3aeff665a1f3e984d",
          "inchikey": "LELOWRISYMNNSU-UHFFFAOYSA-N",
          "smiles": "C#N"
        },
        "smiles": "C#N",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      }
    ]
  }
}