{
  "route": {
    "id": "sa_0c394042489a99a76f6a2f52",
    "signature": "cb6391795d7a41474bd865fb1e77e2ea4f977cc825bfa74995264b7fab42632c",
    "contentHash": "b5338f62de92e89243e3ad72ff3d4a95dbc5b643772490bd4cbe7fd946ea1bea",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_f4790448541d4ad48081206b",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-09174",
    "moleculeId": "sa_be3456f52fa5b7c072eeae2c",
    "smiles": "C=Cc1ccccc1SC(C)(C)C",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_be3456f52fa5b7c072eeae2c",
      "inchikey": "XUSWQUAIYLNZAX-UHFFFAOYSA-N",
      "smiles": "C=Cc1ccccc1SC(C)(C)C"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 2
  },
  "rootNode": {
    "id": "8867",
    "routeId": "sa_0c394042489a99a76f6a2f52",
    "moleculeId": "sa_be3456f52fa5b7c072eeae2c",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_be3456f52fa5b7c072eeae2c",
      "inchikey": "XUSWQUAIYLNZAX-UHFFFAOYSA-N",
      "smiles": "C=Cc1ccccc1SC(C)(C)C"
    },
    "smiles": "C=Cc1ccccc1SC(C)(C)C",
    "reactionStepId": "sa_fa9a7cd3889f6c30afa10c20",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US20100113722A1;0063;874818\",\"rsmi\":\"O=[CH:2][c:3]1[c:4]([S:5][C:6]([CH3:7])([CH3:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1.c1ccc([P+](c2ccccc2)(c2ccccc2)[CH3:1])cc1>CC(C)(C)O.CCOCC.O=C(O)O.I.[K+].[Na+]>[CH2:1]=[CH:2][c:3]1[c:4]([S:5][C:6]([CH3:7])([CH3:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1\"},\"mapped_reaction_smiles\":\"O=[CH:2][c:3]1[c:4]([S:5][C:6]([CH3:7])([CH3:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1.c1ccc([P+](c2ccccc2)(c2ccccc2)[CH3:1])cc1>CC(C)(C)O.CCOCC.O=C(O)O.I.[K+].[Na+]>[CH2:1]=[CH:2][c:3]1[c:4]([S:5][C:6]([CH3:7])([CH3:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1\"}",
    "reactionStep": {
      "id": "sa_fa9a7cd3889f6c30afa10c20",
      "reactionHash": "fa5cef1cee5d0b7b61cc4c038ad7e3b620f8f0a7508ba68e85f5fdd460d7b999"
    },
    "children": [
      {
        "id": "8868",
        "routeId": "sa_0c394042489a99a76f6a2f52",
        "moleculeId": "sa_5f0102bf553884ef57d1ca5c",
        "parentId": "8867",
        "isLeaf": true,
        "molecule": {
          "id": "sa_5f0102bf553884ef57d1ca5c",
          "inchikey": "AZFQCTBZOPUVOW-UHFFFAOYSA-N",
          "smiles": "C[P+](c1ccccc1)(c1ccccc1)c1ccccc1"
        },
        "smiles": "C[P+](c1ccccc1)(c1ccccc1)c1ccccc1",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      },
      {
        "id": "8869",
        "routeId": "sa_0c394042489a99a76f6a2f52",
        "moleculeId": "sa_e7a66c8c8363a3159a68c1fb",
        "parentId": "8867",
        "isLeaf": false,
        "molecule": {
          "id": "sa_e7a66c8c8363a3159a68c1fb",
          "inchikey": "KQQXCBJAELTJRT-UHFFFAOYSA-N",
          "smiles": "CC(C)(C)Sc1ccccc1C=O"
        },
        "smiles": "CC(C)(C)Sc1ccccc1C=O",
        "reactionStepId": "sa_bb5822d9bffe0ad3cb50ea4d",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US20100113722A1;0062;874817\",\"rsmi\":\"F[c:6]1[c:7]([CH:8]=[O:9])[cH:10][cH:11][cH:12][cH:13]1.[CH3:1][C:2]([CH3:3])([CH3:4])[SH:5]>CN(C)C=O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[S:5][c:6]1[c:7]([CH:8]=[O:9])[cH:10][cH:11][cH:12][cH:13]1\"},\"mapped_reaction_smiles\":\"F[c:6]1[c:7]([CH:8]=[O:9])[cH:10][cH:11][cH:12][cH:13]1.[CH3:1][C:2]([CH3:3])([CH3:4])[SH:5]>CN(C)C=O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[S:5][c:6]1[c:7]([CH:8]=[O:9])[cH:10][cH:11][cH:12][cH:13]1\"}",
        "reactionStep": {
          "id": "sa_bb5822d9bffe0ad3cb50ea4d",
          "reactionHash": "ac9ce493964cf5789f30597366d316964259a4cb9889d619eec20d9e93757423"
        },
        "children": [
          {
            "id": "8870",
            "routeId": "sa_0c394042489a99a76f6a2f52",
            "moleculeId": "sa_d40d94747eb164514cfe83e4",
            "parentId": "8869",
            "isLeaf": true,
            "molecule": {
              "id": "sa_d40d94747eb164514cfe83e4",
              "inchikey": "WMXCDAVJEZZYLT-UHFFFAOYSA-N",
              "smiles": "CC(C)(C)S"
            },
            "smiles": "CC(C)(C)S",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "8871",
            "routeId": "sa_0c394042489a99a76f6a2f52",
            "moleculeId": "sa_14bf1af19c1e1cd2f6cc3276",
            "parentId": "8869",
            "isLeaf": true,
            "molecule": {
              "id": "sa_14bf1af19c1e1cd2f6cc3276",
              "inchikey": "ZWDVQMVZZYIAHO-UHFFFAOYSA-N",
              "smiles": "O=Cc1ccccc1F"
            },
            "smiles": "O=Cc1ccccc1F",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      }
    ]
  }
}