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EVODEX.1-P945

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C:2]1([H])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:7]1([N:8]([H:21])[H:22])[H:23].[H][O:9][H]>>[C:2]1(=[O:9])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]([H:19])([H:20])[C:7]1([N:8]([H:21])[H:22])[H:23]

Derived Operators

EVODEX.1-F71 - Elemental Balance

N-1
H-5

EVODEX.1-M59 - Mass Difference

-19.04225

EVODEX.1-E619 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H])-[H].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15]

EVODEX.1-C57 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6:4]-[H].[H]-[#8:6]-[H]>>[#6:4]=[#8:6]

EVODEX.1-N34 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]

EVODEX.1-Em358 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]

EVODEX.1-Cm94 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:4]-[H].[H]-[#8:6]-[H]>>[#6:4]=[#8:6]

EVODEX.1-Nm106 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[H]-[#8:14]-[H]>>[#6:1]-[#6:2](-[#6:4])=[#8:14]

Source Full Reactions

EVODEX.1-R927

Full Reaction Rendering

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