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EVODEX.1-P663

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E45 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]#[#6:2]-[#7:3].[#8:4](-[H])-[H]>>[#7:1](-[#6:2](-[#7:3])=[#8:4])(-[H])-[H]

EVODEX.1-C71 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N203 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

EVODEX.1-Em291 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

EVODEX.1-Cm112 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm289 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]#[#6:2]-[#7:3].[H]-[#8:4]-[H]>>[H]-[#7:1](-[H])-[#6:2](-[#7:3])=[#8:4]

Source Full Reactions

EVODEX.1-R617

Full Reaction Rendering

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