EVODEX Logo

EVODEX.1-P6209

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E118 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:2]-[#6:4](-[#6@@:5](-[#8:6]-[H])(-[#6:7])-[H:20])(-[H:21])-[H:22]>>[#6:5](=[#8:6])(-[#6:7])-[H:20].[#7:2]-[#6:4](-[H:21])(-[H:22])-[H]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N917 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:6]-[#6@:5](-[#6:4](-[#7:2])(-[H:22])-[H:23])(-[#6:7])-[H:21]>>[#6:5](=[#8:6])(-[#6:7])-[H:21].[H]-[#6:4](-[#7:2])(-[H:22])-[H:23]

EVODEX.1-Em726 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm655 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6815

Full Reaction Rendering

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