EVODEX Logo

EVODEX.1-P4549

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E105 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9]1-[#6@@:8]-[#6@@:10]-1(-[#6:11])-[H:40].[#8:22](-[H:47])-[H]>>[#8:9](-[#6@@:8]-[#6@:10](-[#6:11])(-[#8:22]-[H:47])-[H:40])-[H]

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N102 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1.[H]-[#8:18]-[H:35]>>[H]-[#8:7]-[#6@:8]-[#6@@:6](-[#6:5])(-[#8:18]-[H:35])-[H:21]

EVODEX.1-Em126 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm160 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

Source Full Reactions

EVODEX.1-R5385

Full Reaction Rendering

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