{
  "route": {
    "id": "cmisbzwp8004ezfddsg2scn79",
    "signature": "bfd78673c64b303c67f0e9f8a44db567ab9941634d0d5cf901a6e21956aea4cc",
    "length": 2,
    "isConvergent": true
  },
  "target": {
    "id": "cmisc0fo5004vbodd1u53yuls",
    "benchmarkSetId": "cmisc0flu0000boddjstwifeo",
    "targetId": "n5-08342",
    "moleculeId": "wuy9kteleeiz9o5q1pglpwbu",
    "routeLength": 2,
    "isConvergent": true,
    "metadata": "{}",
    "molecule": {
      "id": "wuy9kteleeiz9o5q1pglpwbu",
      "inchikey": "SNNXJTVWMPKCJE-UHFFFAOYSA-N",
      "smiles": "CC(C)n1cc(-c2cc(Oc3ccc(N)c(F)c3)ccn2)cn1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 2
  },
  "rootNode": {
    "id": "cmisbzwp9004fzfddp894ak9f",
    "routeId": "cmisbzwp8004ezfddsg2scn79",
    "moleculeId": "wuy9kteleeiz9o5q1pglpwbu",
    "parentId": null,
    "reactionStepId": "hnaetfco3du8algokuh6mj1t",
    "isLeaf": false,
    "molecule": {
      "id": "wuy9kteleeiz9o5q1pglpwbu",
      "inchikey": "SNNXJTVWMPKCJE-UHFFFAOYSA-N",
      "smiles": "CC(C)n1cc(-c2cc(Oc3ccc(N)c(F)c3)ccn2)cn1"
    },
    "reactionStep": {
      "id": "hnaetfco3du8algokuh6mj1t",
      "reactionHash": "5014ee5cb2719ce673d09bf213dea259353397fee1dfc669a93aadfd61f7db31",
      "template": null,
      "metadata": "{\"ID\":\"US20080269267A1;0097;626676\",\"rsmi\":\"CC1(C)OB([c:6]2[cH:5][n:4]([CH:2]([CH3:1])[CH3:3])[n:23][cH:22]2)OC1(C)C.Cl[c:7]1[n:8][cH:9][cH:10][c:11]([O:12][c:13]2[cH:14][c:15]([F:16])[c:17]([NH2:18])[cH:19][cH:20]2)[cH:21]1>O=C(O)O.[K+].[K+].c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH:2]([CH3:3])[n:4]1[cH:5][c:6](-[c:7]2[n:8][cH:9][cH:10][c:11]([O:12][c:13]3[cH:14][c:15]([F:16])[c:17]([NH2:18])[cH:19][cH:20]3)[cH:21]2)[cH:22][n:23]1\"}"
    },
    "children": [
      {
        "id": "cmisbzwp9004gzfdded45tnta",
        "routeId": "cmisbzwp8004ezfddsg2scn79",
        "moleculeId": "a9xzennyj58edp2oajw3qxh2",
        "parentId": "cmisbzwp9004fzfddp894ak9f",
        "reactionStepId": "f6efc1zydlu38w2t0f0us2pd",
        "isLeaf": false,
        "molecule": {
          "id": "a9xzennyj58edp2oajw3qxh2",
          "inchikey": "OGYYMVGDKVJYSU-UHFFFAOYSA-N",
          "smiles": "CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1"
        },
        "reactionStep": {
          "id": "f6efc1zydlu38w2t0f0us2pd",
          "reactionHash": "fea81b6b1431eec6dbd0a3c0c9fe748a5f6c919f397df148b56b7b8918507297",
          "template": null,
          "metadata": "{\"ID\":\"US20080269267A1;0096;626675\",\"rsmi\":\"I[CH:2]([CH3:1])[CH3:3].[nH:4]1[cH:5][c:6]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)[cH:16][n:17]1>CC#N.O=C(O)O.[K+].[K+]>[CH3:1][CH:2]([CH3:3])[n:4]1[cH:5][c:6]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)[cH:16][n:17]1\"}"
        },
        "children": [
          {
            "id": "cmisbzwp9004izfdd45nh6g32",
            "routeId": "cmisbzwp8004ezfddsg2scn79",
            "moleculeId": "xcws61u1ty1es8n3ubax7i1u",
            "parentId": "cmisbzwp9004gzfdded45tnta",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "xcws61u1ty1es8n3ubax7i1u",
              "inchikey": "FMKOJHQHASLBPH-UHFFFAOYSA-N",
              "smiles": "CC(C)I"
            },
            "reactionStep": null,
            "children": []
          },
          {
            "id": "cmisbzwp9004jzfddltkltx0n",
            "routeId": "cmisbzwp8004ezfddsg2scn79",
            "moleculeId": "y0qygrv67xz59t2kwqgeeuuq",
            "parentId": "cmisbzwp9004gzfdded45tnta",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "y0qygrv67xz59t2kwqgeeuuq",
              "inchikey": "TVOJIBGZFYMWDT-UHFFFAOYSA-N",
              "smiles": "CC1(C)OB(c2cn[nH]c2)OC1(C)C"
            },
            "reactionStep": null,
            "children": []
          }
        ]
      },
      {
        "id": "cmisbzwp9004hzfddu9p3ttef",
        "routeId": "cmisbzwp8004ezfddsg2scn79",
        "moleculeId": "o86paplwegmgi3jjyqw9syls",
        "parentId": "cmisbzwp9004fzfddp894ak9f",
        "reactionStepId": "muf4kfe7d3ypzhcu0i59pyym",
        "isLeaf": false,
        "molecule": {
          "id": "o86paplwegmgi3jjyqw9syls",
          "inchikey": "WEMOCHMQDCMPNK-UHFFFAOYSA-N",
          "smiles": "Nc1ccc(Oc2ccnc(Cl)c2)cc1F"
        },
        "reactionStep": {
          "id": "muf4kfe7d3ypzhcu0i59pyym",
          "reactionHash": "5589ab41042bc0381cf787bed1a439436a019e8b66235d0b74efd51707367aae",
          "template": null,
          "metadata": "{\"ID\":\"US20080269267A1;0082;626663\",\"rsmi\":\"Cl[c:8]1[cH:9][c:10]([Cl:11])[n:12][cH:13][cH:14]1.[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6]([OH:7])[cH:15][cH:16]1>CC(=O)N(C)C.CC(C)(C)O.[K+]>[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([Cl:11])[n:12][cH:13][cH:14]2)[cH:15][cH:16]1\"}"
        },
        "children": [
          {
            "id": "cmisbzwp9004kzfddhv1csbo3",
            "routeId": "cmisbzwp8004ezfddsg2scn79",
            "moleculeId": "evsep3trnrozkpadbw0i9yz5",
            "parentId": "cmisbzwp9004hzfddu9p3ttef",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "evsep3trnrozkpadbw0i9yz5",
              "inchikey": "TYPVHTOETJVYIV-UHFFFAOYSA-N",
              "smiles": "Clc1ccnc(Cl)c1"
            },
            "reactionStep": null,
            "children": []
          },
          {
            "id": "cmisbzwpa004lzfddct896r0p",
            "routeId": "cmisbzwp8004ezfddsg2scn79",
            "moleculeId": "xjfnsct2n8xt01hswgirlzy4",
            "parentId": "cmisbzwp9004hzfddu9p3ttef",
            "reactionStepId": null,
            "isLeaf": true,
            "molecule": {
              "id": "xjfnsct2n8xt01hswgirlzy4",
              "inchikey": "MNPLTKHJEAFOCA-UHFFFAOYSA-N",
              "smiles": "Nc1ccc(O)cc1F"
            },
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}