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EVODEX.1-P6222

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:3]([C:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:23])([H:24])[H:25])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E170 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#6:10].[#6:1](#[#7:2])-[H]>>[#6:1](#[#7:2])-[#6@:8](-[#6:7])(-[#8:9]-[H])-[#6:10]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N922 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6@:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

EVODEX.1-Em731 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm660 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#6:1]#[#7:2]>>[H]-[#8:5]-[#6:4](-[#6:1]#[#7:2])(-[#6:3])-[#6:6]

Source Full Reactions

EVODEX.1-R6828

Full Reaction Rendering

[C:3]([C:4](=[O:5])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:1]#[N:2]>>[H][O:5][C:4]([C:1]#[N:2])([C:3]([H:23])([H:24])[H:25])[C:6]([C:7]([C:8]1:[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]([H:17]):[C:13]:1[H:18])([H:19])[H:20])([H:21])[H:22]