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EVODEX.1-P6201

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C:3]([C:2]([C:1]([H:15])([H:16])[H:17])([H:13])[H:14])([C:7](=[O:8])[O:9][H:11])[H:12]>>[H][C:3]([C:2]([C:1]([H:15])([H:16])[H:17])([H:13])[H:14])([C:7](=[O:8])[O:9][H:11])[H:12]

Derived Operators

EVODEX.1-F52 - Elemental Balance

C-1
O-2

EVODEX.1-M28 - Mass Difference

-43.9898

EVODEX.1-E571 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:38]-[#6:39](-[#6](=[#8])-[#8]-[H])(-[#6:43])-[H:74]>>[#6:38]-[#6:39](-[#6:43])(-[H:74])-[H]

EVODEX.1-C17 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3]>>[H]-[#6:3]

EVODEX.1-N112 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6:3](-[#6:2])(-[#6:7])-[H:12]>>[H]-[#6:3](-[#6:2])(-[#6:7])-[H:12]

EVODEX.1-Em175 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](=[#8])-[#6:3](-[#6:2])-[#6:7]>>[H]-[#6:3](-[#6:2])-[#6:7]

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:6]>>[H]-[#6:6]

EVODEX.1-Nm188 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](=[#8])-[#6:3](-[#6:2])-[#6:7]>>[H]-[#6:3](-[#6:2])-[#6:7]

Source Full Reactions

EVODEX.1-R6807

Full Reaction Rendering

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