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EVODEX.1-P6579

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:10]([C:8]([C@@:6]([C@:4]([C@:2]([C:1]([H:21])([H:22])[H:23])([O:3][H:12])[H:20])([O:5][H:13])[H:19])([O:7][H:14])[H:18])=[O:9])([O:11][H])[H:16]>>[H][C@:8]([C@@:6]([C@:4]([C@:2]([C:1]([H:21])([H:22])[H:23])([O:3][H:12])[H:20])([O:5][H:13])[H:19])([O:7][H:14])[H:18])([O:9][H])[C:10](=[O:11])[H:16]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E122 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2](-[#6:3](-[#8:4]-[H])(-[H:20])-[H])-[#6@:5]>>[#8:1](-[#6@@:2](-[#6:3](=[#8:4])-[H:20])(-[#6@:5])-[H])-[H]

EVODEX.1-C146 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])-[#8:4]-[H]>>[H]-[#8:1]-[#6@@:2](-[H])-[#6:3]=[#8:4]

EVODEX.1-N971 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[#6:2](=[#8:1])-[#6@:5])(-[#8:4]-[H])-[H:20]>>[H]-[#8:1]-[#6@@:2](-[H])(-[#6:3](=[#8:4])-[H:20])-[#6@:5]

EVODEX.1-Em788 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2](=[#8:1])-[#6:5])-[#8:4]-[H]>>[H]-[#8:1]-[#6:2](-[H])(-[#6:3]=[#8:4])-[#6:5]

EVODEX.1-Cm163 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])-[#8:4]-[H]>>[H]-[#8:1]-[#6:2](-[H])-[#6:3]=[#8:4]

EVODEX.1-Nm709 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2](=[#8:1])-[#6:5])-[#8:4]-[H]>>[H]-[#8:1]-[#6:2](-[H])(-[#6:3]=[#8:4])-[#6:5]

Source Full Reactions

EVODEX.1-R7160

Full Reaction Rendering

[H][C:10]([C:8]([C@@:6]([C@:4]([C@:2]([C:1]([H:21])([H:22])[H:23])([O:3][H:12])[H:20])([O:5][H:13])[H:19])([O:7][H:14])[H:18])=[O:9])([O:11][H])[H:16]>>[H][C@:8]([C@@:6]([C@:4]([C@:2]([C:1]([H:21])([H:22])[H:23])([O:3][H:12])[H:20])([O:5][H:13])[H:19])([O:7][H:14])[H:18])([O:9][H])[C:10](=[O:11])[H:16]