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EVODEX.1-R4971

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[C:7]1:[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1[C:13](=[O:14])[O:15][C:16]([C:17]([C:18]([H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:19][H:38]>>[C:16]([C:17]([C:18]([H:24])([H:25])[H:26])([H:27])[H:28])([O:19][H:38])([H:29])[H:30].[H][O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201379 dipropyl phthalate + H2O = 1,3-isobenzofurandione + propanol False Fusarium oxysporum nan 3.1.1.74

Derived Partial Reactions

EVODEX.1-P4131

[H]C([H])([H])C([H])([H])C([H])([H])[O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]>>[H][O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]

[H]C([H])([H])C([H])([H])C([H])([H])[O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]>>[H][O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]