EVODEX.1-P133

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[O:2].[H][O:3][C:4]([H])([C:5](=[C:6]([C:7]1:[C:8]([H:13]):[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]:1[H:17])[H:18])[H:19])[H:20]>>[O:3]=[C:4]([C:5](=[C:6]([C:7]1:[C:8]([H:13]):[C:9]([H:14]):[C:10]([H:15]):[C:11]([H:16]):[C:12]:1[H:17])[H:18])[H:19])[H:20].[H][O:1][O:2][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-N81 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#6:5])-[H:21]>>[#8:3]=[#6:4](-[#6:5])-[H:21].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Em179 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])-[#6:5]=[#6:6]>>[#8:3]=[#6:4]-[#6:5]=[#6:6].[H]-[#8:1]-[#8:2]-[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-Nm94 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])-[#6:5]>>[#8:3]=[#6:4]-[#6:5].[H]-[#8:1]-[#8:2]-[H]

Source Full Reactions

EVODEX.1-R174

Full Reaction Rendering

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