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EVODEX.1-P5924

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E346 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]#[#6:2]-[#6:3].[#8:8](-[H])-[H]>>[#6:2](-[#6:3])(=[#8:8])-[#8]-[H].[#7:1](-[H])(-[H])-[H]

EVODEX.1-C137 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-N58 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Em134 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:10]#[#7:11].[H]-[#8:12]-[H]>>[H]-[#8]-[#6:10](-[#6:8])=[#8:12].[H]-[#7:11](-[H])-[H]

EVODEX.1-Cm106 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[#8]-[#6:5]=[#8:7].[H]-[#7:6](-[H])-[H]

EVODEX.1-Nm89 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]#[#7:6].[H]-[#8:7]-[H]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7].[H]-[#7:6](-[H])-[H]

Source Full Reactions

EVODEX.1-R6587

Full Reaction Rendering

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