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EVODEX.1-P6291

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@]([H])(N([H])[H])[C:6]([O:7][H])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([F:12]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]:1[H:22])[H:23]>>[C:6](=[O:7])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([F:12]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]:1[H:22])[H:23]

Derived Operators

EVODEX.1-F261 - Elemental Balance

O-2
C-2
N-1
H-5

EVODEX.1-M90 - Mass Difference

-75.03205000000001

EVODEX.1-E989 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6@@:6](-[#8:7]-[H])(-[#6:8])-[H:23])-[H])(-[H])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[H:23]

EVODEX.1-C731 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N937 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6@:6](-[#8:7]-[H])(-[#6:8])-[H:15]>>[#6:6](=[#8:7])(-[#6:8])-[H:15]

EVODEX.1-Em745 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm48 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:14]-[#8:15]-[H]>>[#6:14]=[#8:15]

EVODEX.1-Nm674 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6895

Full Reaction Rendering

[H][O:7][C:6]([C@@:2]([N:1]([H:25])[H:26])([C:3](=[O:4])[O:5][H:18])[H:24])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([F:12]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]:1[H:22])[H:23]>>[C:6](=[O:7])([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([F:12]):[C:13]([N+:14](=[O:15])[O-:16]):[C:17]:1[H:22])[H:23].[H][C:2]([N:1]([H:25])[H:26])([C:3](=[O:4])[O:5][H:18])[H:24]