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EVODEX.1-P6200

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:3][C:2](=[O:1])[C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([O:11][H:17]):[C:12]:1[H:18])([H:19])[H:20]>>[H][C:4]([C:5]1:[C:6]([H:14]):[C:7]([H:15]):[C:8]([O:9][H:16]):[C:10]([O: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-E110 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:52]-[#6:53](-[#6:54](=[#8:55])-[#8:56]-[H])(-[H:79])-[H:80]>>[#6:54](=[#8:55])=[#8:56].[#6:52]-[#6:53](-[H:79])(-[H:80])-[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-N911 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#6:2](=[#8:1])-[#6:4](-[#6:5])(-[H:19])-[H:20]>>[H]-[#6:4](-[#6:5])(-[H:19])-[H:20].[#8:1]=[#6:2]=[#8:3]

EVODEX.1-Em720 - 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-Nm649 - 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-R6806

Full Reaction Rendering

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