{
  "route": {
    "id": "sa_82598db37c7b78239a424a93",
    "signature": "60988a7937258987ca4fd50a76c757e43c8051fd3a84b97c0fdd792a4c250fcd",
    "contentHash": "91d2e3f8c4e5aff95fb71c00637fe72c2eaa90adf2440fd3bd1d124d7c666e09",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_02235a7fe8d617433605dbff",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-06825",
    "moleculeId": "sa_6f606e3f80fff5749c98602e",
    "smiles": "COc1ccc(CN(c2ccc(F)cn2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_6f606e3f80fff5749c98602e",
      "inchikey": "JEVTYULSZGLKCQ-UHFFFAOYSA-N",
      "smiles": "COc1ccc(CN(c2ccc(F)cn2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "8134",
    "routeId": "sa_82598db37c7b78239a424a93",
    "moleculeId": "sa_6f606e3f80fff5749c98602e",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_6f606e3f80fff5749c98602e",
      "inchikey": "JEVTYULSZGLKCQ-UHFFFAOYSA-N",
      "smiles": "COc1ccc(CN(c2ccc(F)cn2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1"
    },
    "smiles": "COc1ccc(CN(c2ccc(F)cn2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1",
    "reactionStepId": "sa_92a7e0664791125d254c67e7",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20150259327A1;0497;1751768\",\"rsmi\":\"Cl[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][c:23]([Cl:24])[c:25]([F:26])[cH:27][cH:28]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:29][cH:30]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]([Cl:24])[c:25]([F:26])[cH:27][cH:28]2)[cH:29][cH:30]1\"},\"mapped_reaction_smiles\":\"Cl[S:18](=[O:19])(=[O:20])[c:21]1[cH:22][c:23]([Cl:24])[c:25]([F:26])[cH:27][cH:28]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:29][cH:30]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]([Cl:24])[c:25]([F:26])[cH:27][cH:28]2)[cH:29][cH:30]1\"}",
    "reactionStep": {
      "id": "sa_92a7e0664791125d254c67e7",
      "reactionHash": "fb1fd23aaddddb280be79c827114cf1d85cc4d9b39eb88f0f6dcec129cfbb04d"
    },
    "children": [
      {
        "id": "8135",
        "routeId": "sa_82598db37c7b78239a424a93",
        "moleculeId": "sa_773f440f1720f2c7ddada9eb",
        "parentId": "8134",
        "isLeaf": true,
        "molecule": {
          "id": "sa_773f440f1720f2c7ddada9eb",
          "inchikey": "DXFXNSNBZNELII-UHFFFAOYSA-N",
          "smiles": "O=S(=O)(Cl)c1ccc(F)c(Cl)c1"
        },
        "smiles": "O=S(=O)(Cl)c1ccc(F)c(Cl)c1",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "8136",
        "routeId": "sa_82598db37c7b78239a424a93",
        "moleculeId": "sa_265cecbaaa9f984465f88a33",
        "parentId": "8134",
        "isLeaf": false,
        "molecule": {
          "id": "sa_265cecbaaa9f984465f88a33",
          "inchikey": "XTACMPCTYQGZOU-UHFFFAOYSA-N",
          "smiles": "COc1ccc(CNc2ccc(F)cn2)c(OC)c1"
        },
        "smiles": "COc1ccc(CNc2ccc(F)cn2)c(OC)c1",
        "reactionStepId": "sa_4fe658fe603618f7a6644860",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20150259327A1;0466;1751763\",\"rsmi\":\"F[c:11]1[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH2:10])[cH:18][cH:19]1>CCOC(C)=O.CS(C)=O.O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:18][cH:19]1\"},\"mapped_reaction_smiles\":\"F[c:11]1[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH2:10])[cH:18][cH:19]1>CCOC(C)=O.CS(C)=O.O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][NH:10][c:11]2[n:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:18][cH:19]1\"}",
        "reactionStep": {
          "id": "sa_4fe658fe603618f7a6644860",
          "reactionHash": "550e3167b0c1db7f513722d61b743bae360e8054e106cac8fc9d2afc2dc997a8"
        },
        "children": [
          {
            "id": "8137",
            "routeId": "sa_82598db37c7b78239a424a93",
            "moleculeId": "sa_84a5e95dfba157b58b1a4268",
            "parentId": "8136",
            "isLeaf": true,
            "molecule": {
              "id": "sa_84a5e95dfba157b58b1a4268",
              "inchikey": "QOWBXWFYRXSBAS-UHFFFAOYSA-N",
              "smiles": "COc1ccc(CN)c(OC)c1"
            },
            "smiles": "COc1ccc(CN)c(OC)c1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "8138",
            "routeId": "sa_82598db37c7b78239a424a93",
            "moleculeId": "sa_22b360c86e9c95eaeceed58c",
            "parentId": "8136",
            "isLeaf": true,
            "molecule": {
              "id": "sa_22b360c86e9c95eaeceed58c",
              "inchikey": "XFAMUOYNXFXQTC-UHFFFAOYSA-N",
              "smiles": "Fc1ccc(F)nc1"
            },
            "smiles": "Fc1ccc(F)nc1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}