{
  "route": {
    "id": "cmisbzzwe00wv19dddg3ix9v7",
    "signature": "3eb0f470b0a866e5aa793a2273db8c5f139ffdc0e31fe006f6dd61544a71e9f6",
    "length": 3,
    "isConvergent": false
  },
  "target": {
    "id": "cmisc0cuj00kxa8dd4ihr72wr",
    "benchmarkSetId": "cmisc0cnd0000a8dd4g4pdf0s",
    "targetId": "n5-04650",
    "moleculeId": "qqyj2mvk6bvrualataodt2lp",
    "routeLength": 3,
    "isConvergent": false,
    "metadata": "{}",
    "molecule": {
      "id": "qqyj2mvk6bvrualataodt2lp",
      "inchikey": "MLONRGZSQUQQDI-UHFFFAOYSA-N",
      "smiles": "CCc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 2
  },
  "rootNode": {
    "id": "cmisbzzwe00ww19dd2nnvrnde",
    "routeId": "cmisbzzwe00wv19dddg3ix9v7",
    "moleculeId": "qqyj2mvk6bvrualataodt2lp",
    "parentId": null,
    "reactionStepId": "ps05o7cn22lwa1rtftppnojl",
    "isLeaf": false,
    "molecule": {
      "id": "qqyj2mvk6bvrualataodt2lp",
      "inchikey": "MLONRGZSQUQQDI-UHFFFAOYSA-N",
      "smiles": "CCc1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12"
    },
    "reactionStep": {
      "id": "ps05o7cn22lwa1rtftppnojl",
      "reactionHash": "cc0b9ccefea9fb7e090f49201ec98a297e199ce60844d944cc25d20815d63b6b",
      "template": null,
      "metadata": "{\"ID\":\"US20150018367A1;0210;1639164\",\"rsmi\":\"Br[c:9]1[c:8]2[c:4]([c:3]([CH2:2][CH3:1])[cH:20][cH:19]1)[nH:5][cH:6][cH:7]2.CC1(C)OB([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)OC1(C)C>CC(=O)O.COCCOC.Cl[Pd]Cl.[Fe+2].[K+]>[CH3:1][CH2:2][c:3]1[c:4]2[nH:5][cH:6][cH:7][c:8]2[c:9]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:19][cH:20]1\"}"
    },
    "children": [
      {
        "id": "cmisbzzwe00wx19dd43nklear",
        "routeId": "cmisbzzwe00wv19dddg3ix9v7",
        "moleculeId": "i3n48q7plwaq0oz9th5dsywf",
        "parentId": "cmisbzzwe00ww19dd2nnvrnde",
        "reactionStepId": null,
        "isLeaf": true,
        "molecule": {
          "id": "i3n48q7plwaq0oz9th5dsywf",
          "inchikey": "IPWKHHSGDUIRAH-UHFFFAOYSA-N",
          "smiles": "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C"
        },
        "reactionStep": null,
        "children": []
      },
      {
        "id": "cmisbzzwe00wy19ddbchbc9pj",
        "routeId": "cmisbzzwe00wv19dddg3ix9v7",
        "moleculeId": "ko12z491daxcgumytlxye90i",
        "parentId": "cmisbzzwe00ww19dd2nnvrnde",
        "reactionStepId": "r8wxbtdkkkoy5fpsa27vfxj9",
        "isLeaf": false,
        "molecule": {
          "id": "ko12z491daxcgumytlxye90i",
          "inchikey": "FVTUXNYDWPDTPO-UHFFFAOYSA-N",
          "smiles": "CCc1ccc(Br)c2cc[nH]c12"
        },
        "reactionStep": {
          "id": "r8wxbtdkkkoy5fpsa27vfxj9",
          "reactionHash": "ae04824fe58aa1428505d35dd4b9bac7877374787001fed2061edb9b5b96d8c7",
          "template": null,
          "metadata": "{\"ID\":\"US20150018367A1;0209;1639163\",\"rsmi\":\"Br[Mg][CH:7]=[CH2:6].O=[N+:5]([O-])[c:4]1[c:3]([CH2:2][CH3:1])[cH:12][cH:11][c:9]([Br:10])[cH:8]1>C1CCOC1.O>[CH3:1][CH2:2][c:3]1[c:4]2[nH:5][cH:6][cH:7][c:8]2[c:9]([Br:10])[cH:11][cH:12]1\"}"
        },
        "children": [
          {
            "id": "cmisbzzwe00wz19ddrv45wsot",
            "routeId": "cmisbzzwe00wv19dddg3ix9v7",
            "moleculeId": "ysdq66tvbykr8j7xqeu09mo2",
            "parentId": "cmisbzzwe00wy19ddbchbc9pj",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "ysdq66tvbykr8j7xqeu09mo2",
              "inchikey": "XHHHAXOHMKAOSL-UHFFFAOYSA-M",
              "smiles": "C=[CH][Mg][Br]"
            },
            "reactionStep": null,
            "children": []
          },
          {
            "id": "cmisbzzwf00x019dd5zk38ibf",
            "routeId": "cmisbzzwe00wv19dddg3ix9v7",
            "moleculeId": "xbowz8ea5srp00lfgnnqlmc0",
            "parentId": "cmisbzzwe00wy19ddbchbc9pj",
            "reactionStepId": "j14d1vc01j26zrtv597ovlbp",
            "isLeaf": false,
            "molecule": {
              "id": "xbowz8ea5srp00lfgnnqlmc0",
              "inchikey": "YFEUEACCUDZRPY-UHFFFAOYSA-N",
              "smiles": "CCc1ccc(Br)cc1[N+](=O)[O-]"
            },
            "reactionStep": {
              "id": "j14d1vc01j26zrtv597ovlbp",
              "reactionHash": "6ec3b30589233a06e4c7d09afc54c20103a874839392e2b20be337e64dbad93f",
              "template": null,
              "metadata": "{\"ID\":\"US20150018367A1;0206;1639162\",\"rsmi\":\"O[N+:5](=[O:6])[O-:7].[CH3:1][CH2:2][c:3]1[cH:4][cH:8][c:9]([Br:10])[cH:11][cH:12]1>O.O=S(=O)(O)O>[CH3:1][CH2:2][c:3]1[c:4]([N+:5](=[O:6])[O-:7])[cH:8][c:9]([Br:10])[cH:11][cH:12]1\"}"
            },
            "children": [
              {
                "id": "cmisbzzwf00x119ddb0c8ulv4",
                "routeId": "cmisbzzwe00wv19dddg3ix9v7",
                "moleculeId": "winf0d1oyg901ql1mfeoof3z",
                "parentId": "cmisbzzwf00x019dd5zk38ibf",
                "reactionStepId": null,
                "isLeaf": true,
                "molecule": {
                  "id": "winf0d1oyg901ql1mfeoof3z",
                  "inchikey": "URFPRAHGGBYNPW-UHFFFAOYSA-N",
                  "smiles": "CCc1ccc(Br)cc1"
                },
                "reactionStep": null,
                "children": []
              },
              {
                "id": "cmisbzzwf00x219ddo7z4g87g",
                "routeId": "cmisbzzwe00wv19dddg3ix9v7",
                "moleculeId": "bcsdom55ez96hdb4wx880j7s",
                "parentId": "cmisbzzwf00x019dd5zk38ibf",
                "reactionStepId": null,
                "isLeaf": true,
                "molecule": {
                  "id": "bcsdom55ez96hdb4wx880j7s",
                  "inchikey": "GRYLNZFGIOXLOG-UHFFFAOYSA-N",
                  "smiles": "O=[N+]([O-])O"
                },
                "reactionStep": null,
                "children": []
              }
            ]
          }
        ]
      }
    ]
  }
}