{
  "route": {
    "id": "sa_44add783b311a1e4694363f0",
    "signature": "3b7b56719a41b7fa2b90178fcc04532cfa6d1019475b40963230be5cac38d34b",
    "contentHash": "6a7ae7dbe1285c90118d7e984a1e93042bb7971ece7957355894d30028f82efb",
    "length": 4,
    "isConvergent": false
  },
  "target": {
    "id": "sa_500ab2d9f21db3984faf022a",
    "benchmarkSetId": "019173c85ab67300a20aafbd44174d6551ca67a41e948a511372ae5dca775a80",
    "targetId": "USPTO-145/190",
    "moleculeId": "sa_5e0d3319efbe77ac3f28b47e",
    "smiles": "O=S(=O)(c1cc(C(F)(F)F)ccc1Br)C1CCOC(c2ccc(Cl)cc2)C1",
    "routeLength": 4,
    "isConvergent": false,
    "metadata": "{\"source\":\"retro-pickle\"}",
    "molecule": {
      "id": "sa_5e0d3319efbe77ac3f28b47e",
      "inchikey": "QYXDBFAZBVZWHB-UHFFFAOYSA-N",
      "smiles": "O=S(=O)(c1cc(C(F)(F)F)ccc1Br)C1CCOC(c2ccc(Cl)cc2)C1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "19811",
    "routeId": "sa_44add783b311a1e4694363f0",
    "moleculeId": "sa_5e0d3319efbe77ac3f28b47e",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_5e0d3319efbe77ac3f28b47e",
      "inchikey": "QYXDBFAZBVZWHB-UHFFFAOYSA-N",
      "smiles": "O=S(=O)(c1cc(C(F)(F)F)ccc1Br)C1CCOC(c2ccc(Cl)cc2)C1"
    },
    "smiles": "O=S(=O)(c1cc(C(F)(F)F)ccc1Br)C1CCOC(c2ccc(Cl)cc2)C1",
    "reactionStepId": "sa_b92444ebd47a017d72831362",
    "template": null,
    "metadata": null,
    "reactionStep": {
      "id": "sa_b92444ebd47a017d72831362",
      "reactionHash": "31e486f81683b9c8a9b5f9ac0cb33035fb2967c3250217b2061303a9b9fe2f02"
    },
    "children": [
      {
        "id": "19812",
        "routeId": "sa_44add783b311a1e4694363f0",
        "moleculeId": "sa_106b35b8a76bbe73829a0a69",
        "parentId": "19811",
        "isLeaf": true,
        "molecule": {
          "id": "sa_106b35b8a76bbe73829a0a69",
          "inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N",
          "smiles": "O"
        },
        "smiles": "O",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "19813",
        "routeId": "sa_44add783b311a1e4694363f0",
        "moleculeId": "sa_560fe3e4c2abb22f2b373330",
        "parentId": "19811",
        "isLeaf": true,
        "molecule": {
          "id": "sa_560fe3e4c2abb22f2b373330",
          "inchikey": "XOYUQZOQLOSQSZ-UHFFFAOYSA-N",
          "smiles": "[O-][I+3]([O-])([O-])[O-]"
        },
        "smiles": "[O-][I+3]([O-])([O-])[O-]",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "19814",
        "routeId": "sa_44add783b311a1e4694363f0",
        "moleculeId": "sa_c736722f03f3c064f96449db",
        "parentId": "19811",
        "isLeaf": false,
        "molecule": {
          "id": "sa_c736722f03f3c064f96449db",
          "inchikey": "ZSOJXMPHZONUCE-UHFFFAOYSA-N",
          "smiles": "FC(F)(F)c1ccc(Br)c(SC2CCOC(c3ccc(Cl)cc3)C2)c1"
        },
        "smiles": "FC(F)(F)c1ccc(Br)c(SC2CCOC(c3ccc(Cl)cc3)C2)c1",
        "reactionStepId": "sa_0114c9d20be2c128d6f363b2",
        "template": null,
        "metadata": null,
        "reactionStep": {
          "id": "sa_0114c9d20be2c128d6f363b2",
          "reactionHash": "19de7e5e5f18e9e8a2e105799242e3fb6910827886ea5f59936480f11ce525ca"
        },
        "children": [
          {
            "id": "19815",
            "routeId": "sa_44add783b311a1e4694363f0",
            "moleculeId": "sa_2bdffaa470ef66e081c7ba4e",
            "parentId": "19814",
            "isLeaf": false,
            "molecule": {
              "id": "sa_2bdffaa470ef66e081c7ba4e",
              "inchikey": "JQCUGOGTRJTGNS-UHFFFAOYSA-N",
              "smiles": "CS(=O)(=O)OC1CCOC(c2ccc(Cl)cc2)C1"
            },
            "smiles": "CS(=O)(=O)OC1CCOC(c2ccc(Cl)cc2)C1",
            "reactionStepId": "sa_713103ccfdd91760ecaa63dc",
            "template": null,
            "metadata": null,
            "reactionStep": {
              "id": "sa_713103ccfdd91760ecaa63dc",
              "reactionHash": "3c204b4e2fd6974b980f93db73d4062babe9bb88da179123a8b2efea1410eff7"
            },
            "children": [
              {
                "id": "19816",
                "routeId": "sa_44add783b311a1e4694363f0",
                "moleculeId": "sa_d2a31ea58046b00856f61ca5",
                "parentId": "19815",
                "isLeaf": true,
                "molecule": {
                  "id": "sa_d2a31ea58046b00856f61ca5",
                  "inchikey": "QARBMVPHQWIHKH-UHFFFAOYSA-N",
                  "smiles": "CS(=O)(=O)Cl"
                },
                "smiles": "CS(=O)(=O)Cl",
                "reactionStepId": null,
                "template": null,
                "metadata": null,
                "reactionStep": null,
                "children": []
              },
              {
                "id": "19817",
                "routeId": "sa_44add783b311a1e4694363f0",
                "moleculeId": "sa_074958c4e5c129d724737985",
                "parentId": "19815",
                "isLeaf": false,
                "molecule": {
                  "id": "sa_074958c4e5c129d724737985",
                  "inchikey": "SMDAPVBKEBEABV-UHFFFAOYSA-N",
                  "smiles": "OC1CCOC(c2ccc(Cl)cc2)C1"
                },
                "smiles": "OC1CCOC(c2ccc(Cl)cc2)C1",
                "reactionStepId": "sa_fdaeb14371a47c3e4e245540",
                "template": null,
                "metadata": null,
                "reactionStep": {
                  "id": "sa_fdaeb14371a47c3e4e245540",
                  "reactionHash": "1fc1c255879282fc5c670d17834ae700d9a3addd9aaab673d3fabc73fb6f6f28"
                },
                "children": [
                  {
                    "id": "19818",
                    "routeId": "sa_44add783b311a1e4694363f0",
                    "moleculeId": "sa_95255078a9b1044823d7ec55",
                    "parentId": "19817",
                    "isLeaf": true,
                    "molecule": {
                      "id": "sa_95255078a9b1044823d7ec55",
                      "inchikey": "AVPYQKSLYISFPO-UHFFFAOYSA-N",
                      "smiles": "O=Cc1ccc(Cl)cc1"
                    },
                    "smiles": "O=Cc1ccc(Cl)cc1",
                    "reactionStepId": null,
                    "template": null,
                    "metadata": null,
                    "reactionStep": null,
                    "children": []
                  },
                  {
                    "id": "19819",
                    "routeId": "sa_44add783b311a1e4694363f0",
                    "moleculeId": "sa_b4efe297f36a4a11b5a59023",
                    "parentId": "19817",
                    "isLeaf": true,
                    "molecule": {
                      "id": "sa_b4efe297f36a4a11b5a59023",
                      "inchikey": "BVKZGUZCCUSVTD-UHFFFAOYSA-M",
                      "smiles": "O=C([O-])O"
                    },
                    "smiles": "O=C([O-])O",
                    "reactionStepId": null,
                    "template": null,
                    "metadata": null,
                    "reactionStep": null,
                    "children": []
                  },
                  {
                    "id": "19820",
                    "routeId": "sa_44add783b311a1e4694363f0",
                    "moleculeId": "sa_cbf5e05f585e1078cc2f8c1e",
                    "parentId": "19817",
                    "isLeaf": true,
                    "molecule": {
                      "id": "sa_cbf5e05f585e1078cc2f8c1e",
                      "inchikey": "ZSPTYLOMNJNZNG-UHFFFAOYSA-N",
                      "smiles": "C=CCCO"
                    },
                    "smiles": "C=CCCO",
                    "reactionStepId": null,
                    "template": null,
                    "metadata": null,
                    "reactionStep": null,
                    "children": []
                  }
                ]
              }
            ]
          },
          {
            "id": "19821",
            "routeId": "sa_44add783b311a1e4694363f0",
            "moleculeId": "sa_1e08cb6a4cd3080751dc8cf1",
            "parentId": "19814",
            "isLeaf": true,
            "molecule": {
              "id": "sa_1e08cb6a4cd3080751dc8cf1",
              "inchikey": "ZXVCDJUEVOLNEV-UHFFFAOYSA-N",
              "smiles": "FC(F)(F)c1ccc(Br)c(S)c1"
            },
            "smiles": "FC(F)(F)c1ccc(Br)c(S)c1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}