{
  "route": {
    "id": "sa_28c6dac80c2d5f06ba7c224f",
    "signature": "fc3263a8342bd3579eecd2cc9eede4a2ab4f19e5c36399a87da44e8674315165",
    "contentHash": "502c8bb6263726b5e7ecf3f17b22aea67ead9156077f094098b42d4bf68079da",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_d59a1dcb92415101b539f8ba",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-07369",
    "moleculeId": "sa_d024eda1ced6c3bb142eea0e",
    "smiles": "Brc1cnc(Nc2ccc(-n3ccnc3)cc2)c2nccn12",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_d024eda1ced6c3bb142eea0e",
      "inchikey": "ZAKXSCVPSCUESO-UHFFFAOYSA-N",
      "smiles": "Brc1cnc(Nc2ccc(-n3ccnc3)cc2)c2nccn12"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 2
  },
  "rootNode": {
    "id": "8292",
    "routeId": "sa_28c6dac80c2d5f06ba7c224f",
    "moleculeId": "sa_d024eda1ced6c3bb142eea0e",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_d024eda1ced6c3bb142eea0e",
      "inchikey": "ZAKXSCVPSCUESO-UHFFFAOYSA-N",
      "smiles": "Brc1cnc(Nc2ccc(-n3ccnc3)cc2)c2nccn12"
    },
    "smiles": "Brc1cnc(Nc2ccc(-n3ccnc3)cc2)c2nccn12",
    "reactionStepId": "sa_01ae30b8d12e37df50fe78d9",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20070281943A1;0579;524227\",\"rsmi\":\"Br[c:5]1[n:4][cH:3][c:2]([Br:1])[n:22]2[c:18]1[n:19][cH:20][cH:21]2.[NH2:6][c:7]1[cH:8][cH:9][c:10](-[n:11]2[cH:12][cH:13][n:14][cH:15]2)[cH:16][cH:17]1>CC(C)(C)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(NCc1ccc(O)cc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1.[Na+].[Pd].[Pd]>[Br:1][c:2]1[cH:3][n:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10](-[n:11]3[cH:12][cH:13][n:14][cH:15]3)[cH:16][cH:17]2)[c:18]2[n:19][cH:20][cH:21][n:22]12\"},\"mapped_reaction_smiles\":\"Br[c:5]1[n:4][cH:3][c:2]([Br:1])[n:22]2[c:18]1[n:19][cH:20][cH:21]2.[NH2:6][c:7]1[cH:8][cH:9][c:10](-[n:11]2[cH:12][cH:13][n:14][cH:15]2)[cH:16][cH:17]1>CC(C)(C)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(NCc1ccc(O)cc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1.[Na+].[Pd].[Pd]>[Br:1][c:2]1[cH:3][n:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10](-[n:11]3[cH:12][cH:13][n:14][cH:15]3)[cH:16][cH:17]2)[c:18]2[n:19][cH:20][cH:21][n:22]12\"}",
    "reactionStep": {
      "id": "sa_01ae30b8d12e37df50fe78d9",
      "reactionHash": "0e6e8b74557aba0013c1123a299633aa230390c40865621c49fb59614a51e7fc"
    },
    "children": [
      {
        "id": "8293",
        "routeId": "sa_28c6dac80c2d5f06ba7c224f",
        "moleculeId": "sa_ace9bdd13ed73afac5da2d22",
        "parentId": "8292",
        "isLeaf": true,
        "molecule": {
          "id": "sa_ace9bdd13ed73afac5da2d22",
          "inchikey": "LVOASPZGXNAHJI-UHFFFAOYSA-N",
          "smiles": "Nc1ccc(-n2ccnc2)cc1"
        },
        "smiles": "Nc1ccc(-n2ccnc2)cc1",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "8294",
        "routeId": "sa_28c6dac80c2d5f06ba7c224f",
        "moleculeId": "sa_8d98f117c4667db29a94b7c9",
        "parentId": "8292",
        "isLeaf": false,
        "molecule": {
          "id": "sa_8d98f117c4667db29a94b7c9",
          "inchikey": "OVORGAZVJJAIEH-UHFFFAOYSA-N",
          "smiles": "Brc1ncc(Br)n2ccnc12"
        },
        "smiles": "Brc1ncc(Br)n2ccnc12",
        "reactionStepId": "sa_a9fea7e707e2c4f0d81bb5b9",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20070281943A1;0471;524193\",\"rsmi\":\"CCO[CH:9](OCC)[CH2:10]Br.[Br:1][c:2]1[cH:3][n:4][c:5]([Br:6])[c:7]([NH2:8])[n:11]1>Br.CC(C)O>[Br:1][c:2]1[cH:3][n:4][c:5]([Br:6])[c:7]2[n:8][cH:9][cH:10][n:11]12\"},\"mapped_reaction_smiles\":\"CCO[CH:9](OCC)[CH2:10]Br.[Br:1][c:2]1[cH:3][n:4][c:5]([Br:6])[c:7]([NH2:8])[n:11]1>Br.CC(C)O>[Br:1][c:2]1[cH:3][n:4][c:5]([Br:6])[c:7]2[n:8][cH:9][cH:10][n:11]12\"}",
        "reactionStep": {
          "id": "sa_a9fea7e707e2c4f0d81bb5b9",
          "reactionHash": "ea076ad658cf44037f3ee4c988e501c5f93e236ff875d2a3d798f1e22e94b07c"
        },
        "children": [
          {
            "id": "8295",
            "routeId": "sa_28c6dac80c2d5f06ba7c224f",
            "moleculeId": "sa_a03c80f6959de11dcab3c476",
            "parentId": "8294",
            "isLeaf": true,
            "molecule": {
              "id": "sa_a03c80f6959de11dcab3c476",
              "inchikey": "LILXDMFJXYAKMK-UHFFFAOYSA-N",
              "smiles": "CCOC(CBr)OCC"
            },
            "smiles": "CCOC(CBr)OCC",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "8296",
            "routeId": "sa_28c6dac80c2d5f06ba7c224f",
            "moleculeId": "sa_e63db2ee86890dbdb84dd792",
            "parentId": "8294",
            "isLeaf": true,
            "molecule": {
              "id": "sa_e63db2ee86890dbdb84dd792",
              "inchikey": "ZEDFFSRZLCREEN-UHFFFAOYSA-N",
              "smiles": "Nc1nc(Br)cnc1Br"
            },
            "smiles": "Nc1nc(Br)cnc1Br",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}