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EVODEX.1-P117

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E147 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#8:2].[#8:11](-[#6@:10](-[#6@@:9])(-[H])-[#6@:12])-[H]>>[#8:1](-[#8:2]-[H])-[H].[#6:10](-[#6@@:9])(=[#8:11])-[#6@:12]

EVODEX.1-C40 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N80 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:16]=[#8:17].[H]-[#6@:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em180 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm93 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]

Source Full Reactions

EVODEX.1-R153

Full Reaction Rendering

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