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EVODEX.1-R6719

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([Cl:4])[H:9])([H:10])([H:11])[H:12].[H][O:5][H:13]>>[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([O:5][H:13])[H:9])([H:10])([H:11])[H:12].[H][Cl:4]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
274439 2-chloropropane + H2O = ethanol + chloride False Rhodobacteraceae nan 3.8.1.5

Derived Partial Reactions

EVODEX.1-P6109

[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([Cl:4])[H:9])([H:10])([H:11])[H:12].[H][O:5][H:13]>>[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([O:5][H:13])[H:9])([H:10])([H:11])[H:12].[H][Cl:4]

[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([Cl:4])[H:9])([H:10])([H:11])[H:12].[H][O:5][H:13]>>[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([O:5][H:13])[H:9])([H:10])([H:11])[H:12].[H][Cl:4]

EVODEX.1-P6110

[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([Cl:4])[H:9])([H:10])([H:11])[H:12]>>[H]O[C:2]([C:1]([H:10])([H:11])[H:12])([C:3]([H:6])([H:7])[H:8])[H:9].[H][Cl:4]

[C:1]([C:2]([C:3]([H:6])([H:7])[H:8])([Cl:4])[H:9])([H:10])([H:11])[H:12]>>[H]O[C:2]([C:1]([H:10])([H:11])[H:12])([C:3]([H:6])([H:7])[H:8])[H:9].[H][Cl:4]