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EVODEX.1-R6721

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([Cl:8])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][O:9][H:25]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([O:9][H:25])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][Cl:8]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
274467 1-chloroheptane + H2O = heptanol + chloride False Corynebacterium sp. nan 3.8.1.5

Derived Partial Reactions

EVODEX.1-P6112

Cl[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11].[H][O:9][H:25]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([O:9][H:25])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24]

Cl[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11].[H][O:9][H:25]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([O:9][H:25])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24]