EVODEX Logo

EVODEX.1-P5927

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F492 - Elemental Balance

O2
N-1
H1

EVODEX.1-M81 - Mass Difference

18.994529999999997

EVODEX.1-E1311 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C716 - Reaction Operator C

Reaction Operator C SMIRKS

[#7]#[#6:10]-[#6:8]>>[H]-[#8]-[#6:10](=[#8])-[#6@@:8]

EVODEX.1-N882 - Reaction Operator N

Reaction Operator N SMIRKS

[#7]#[#6:10]-[#6:8](-[#6:7])(-[#8:9])-[H:19]>>[H]-[#8]-[#6:10](=[#8])-[#6@@:8](-[#6:7])(-[#8:9])-[H:19]

EVODEX.1-Em133 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm107 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]#[#6:2]>>[#8]-[#6:2]=[#8]

EVODEX.1-Nm90 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6589

Full Reaction Rendering

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