{
  "route": {
    "id": "cmisc0a0600ge7qddr3y78f6b",
    "signature": "5cc4abf38d4cf373bb6b155183c16bbbcaee05f99602d1e80d727a67d76ac562",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "cmisc0a0600gd7qdd8j1swiiu",
    "benchmarkSetId": "cmisc09u000007qddhq6eczgb",
    "targetId": "n5-09890",
    "moleculeId": "u3wu6q7309q5nn5xt6tqxcvs",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": "{}",
    "molecule": {
      "id": "u3wu6q7309q5nn5xt6tqxcvs",
      "inchikey": "QLOVUNBVJWNVGD-UHFFFAOYSA-N",
      "smiles": "Cn1nc(-c2cncc(S(C)(=O)=O)c2)c2cnc(N)nc21"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "cmisc0a0700gf7qddcxan6viw",
    "routeId": "cmisc0a0600ge7qddr3y78f6b",
    "moleculeId": "u3wu6q7309q5nn5xt6tqxcvs",
    "parentId": null,
    "reactionStepId": "v1khr9a85gmdmuz5d8nunjc0",
    "isLeaf": false,
    "molecule": {
      "id": "u3wu6q7309q5nn5xt6tqxcvs",
      "inchikey": "QLOVUNBVJWNVGD-UHFFFAOYSA-N",
      "smiles": "Cn1nc(-c2cncc(S(C)(=O)=O)c2)c2cnc(N)nc21"
    },
    "reactionStep": {
      "id": "v1khr9a85gmdmuz5d8nunjc0",
      "reactionHash": "03017993a86e98bb86a6c2cc6ad0b268f76594253fdcc53ac3a97546d9938573",
      "template": null,
      "metadata": "{\"ID\":\"US20140235632A1;0425;1567713\",\"rsmi\":\"Br[c:4]1[n:3][n:2]([CH3:1])[c:21]2[c:15]1[cH:16][n:17][c:18]([NH2:19])[n:20]2.OB(O)[c:5]1[cH:6][c:7]([S:8]([CH3:9])(=[O:10])=[O:11])[cH:12][n:13][cH:14]1>C1COCCO1.CCOCC.Cl[Pd]Cl.O.O=C(O)O.[Fe+2].[Na+].[Na+]>[CH3:1][n:2]1[n:3][c:4](-[c:5]2[cH:6][c:7]([S:8]([CH3:9])(=[O:10])=[O:11])[cH:12][n:13][cH:14]2)[c:15]2[cH:16][n:17][c:18]([NH2:19])[n:20][c:21]12\"}"
    },
    "children": [
      {
        "id": "cmisc0a0700gg7qdd84tjqqvv",
        "routeId": "cmisc0a0600ge7qddr3y78f6b",
        "moleculeId": "lzsv516b23obzc5kpxomdcok",
        "parentId": "cmisc0a0700gf7qddcxan6viw",
        "reactionStepId": null,
        "isLeaf": true,
        "molecule": {
          "id": "lzsv516b23obzc5kpxomdcok",
          "inchikey": "YGXNPQDXWDCWET-UHFFFAOYSA-N",
          "smiles": "CS(=O)(=O)c1cncc(B(O)O)c1"
        },
        "reactionStep": null,
        "children": []
      },
      {
        "id": "cmisc0a0700gh7qdd1y9ndgj7",
        "routeId": "cmisc0a0600ge7qddr3y78f6b",
        "moleculeId": "m2rhe0s54n22k7ayvsct7icx",
        "parentId": "cmisc0a0700gf7qddcxan6viw",
        "reactionStepId": "lqors44x20q2tkov3jh7ic60",
        "isLeaf": false,
        "molecule": {
          "id": "m2rhe0s54n22k7ayvsct7icx",
          "inchikey": "KLPIXDZOKPAZKO-UHFFFAOYSA-N",
          "smiles": "Cn1nc(Br)c2cnc(N)nc21"
        },
        "reactionStep": {
          "id": "lqors44x20q2tkov3jh7ic60",
          "reactionHash": "efb4afec8b15966595c452c03279004ba2baaf4271328202b08f2edc37a94576",
          "template": null,
          "metadata": "{\"ID\":\"US20140235632A1;0432;1567717\",\"rsmi\":\"CS(=O)(=O)[c:9]1[n:8][cH:7][c:6]2[c:4]([Br:5])[n:3][n:2]([CH3:1])[c:12]2[n:11]1.[NH3:10]>C1COCCO1>[CH3:1][n:2]1[n:3][c:4]([Br:5])[c:6]2[cH:7][n:8][c:9]([NH2:10])[n:11][c:12]12\"}"
        },
        "children": [
          {
            "id": "cmisc0a0700gi7qdd3zcfb7te",
            "routeId": "cmisc0a0600ge7qddr3y78f6b",
            "moleculeId": "vbb0p2co58ua10ljpkrchqxj",
            "parentId": "cmisc0a0700gh7qdd1y9ndgj7",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "vbb0p2co58ua10ljpkrchqxj",
              "inchikey": "FSVIOUDTEDWINL-UHFFFAOYSA-N",
              "smiles": "Cn1nc(Br)c2cnc(S(C)(=O)=O)nc21"
            },
            "reactionStep": null,
            "children": []
          },
          {
            "id": "cmisc0a0700gj7qdddxem5eom",
            "routeId": "cmisc0a0600ge7qddr3y78f6b",
            "moleculeId": "f8e2zb4tye7yqtxjpdjfu06c",
            "parentId": "cmisc0a0700gh7qdd1y9ndgj7",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "f8e2zb4tye7yqtxjpdjfu06c",
              "inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N",
              "smiles": "N"
            },
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}