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EVODEX.1-P5937

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F180 - Elemental Balance

O2
H4

EVODEX.1-M21 - Mass Difference

36.021119999999996

EVODEX.1-E872 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[#6:2]-[#6@:3](-[#8:4])(-[#6:5](=[#8])-[#8]-[H])-[H:10].[#7:6](-[H])(-[H])-[H]

EVODEX.1-C713 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N878 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](-[#8:4])(-[#6:5]#[#7:6])-[H:10]>>[H]-[#8]-[#6:5](=[#8])-[#6@:3](-[#6:2])(-[#8:4])-[H:10].[H]-[#7:6](-[H])-[H]

EVODEX.1-Em132 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm105 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm88 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6593

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:1[C:9]([O:10][H:19])([C:11]#[N:12])[H:20])([H:21])([H:22])[H:23].[H][O:13][H].[H][O:14][H:26]>>[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([H:17]):[C:7]([H:18]):[C:8]:1[C@@:9]([O:10][H:19])([C:11](=[O:13])[O:14][H:26])[H:20])([H:21])([H:22])[H:23].[H][N:12]([H])[H]