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EVODEX.1-P6137

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E119 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2](-[#8:3]-[H])-[#6:4](=[#6:5])-[H:17]>>[#6:4](=[#6:5])(-[H:17])-[H].[#8:1]=[#6:2]=[#8:3]

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-N908 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2](=[#8:1])-[#6:4](=[#6:5])-[H:17]>>[H]-[#6:4](=[#6:5])-[H:17].[#8:1]=[#6:2]=[#8:3]

EVODEX.1-Em717 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-Nm646 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6739

Full Reaction Rendering

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