EVODEX.1-P130

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C40 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-N80 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:16]=[#8:17].[H]-[#6@:4](-[#6:2])(-[#8:5]-[H])-[#6:6]>>[#6:2]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em177 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:16]=[#8:17].[H]-[#6:4](-[#6:2]=[#8:1])(-[#8:5]-[H])-[#6:6]>>[#8:1]=[#6:2]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Nm93 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:24](-[#8:25]-[H])(-[#6:23])-[#6:26].[#8:32]=[#8:33]>>[#6:23]-[#6:24](=[#8:25])-[#6:26].[H]-[#8:32]-[#8:33]-[H]

Source Full Reactions

EVODEX.1-R171

Full Reaction Rendering

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