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EVODEX.1-P138

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E124 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](=[#8:7])-[H:16].[#8:13](-[#8:14]-[H])-[H]>>[#6:5]-[#6:6](-[#8:7]-[H])(-[H:16])-[H].[#8:13]=[#8:14]

EVODEX.1-C195 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:1]=[#6:2].[H]-[#8:12]-[#8:13]-[H]>>[#8:12]=[#8:13].[H]-[#8:1]-[#6:2]-[H]

EVODEX.1-N115 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#6:2](-[#6:3])-[H:18].[H]-[#8:12]-[#8:13]-[H]>>[#8:12]=[#8:13].[H]-[#8:1]-[#6:2](-[H])(-[#6:3])-[H:18]

EVODEX.1-Em189 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]-[#6:3].[H]-[#8:12]-[#8:13]-[H]>>[#8:12]=[#8:13].[H]-[#8:1]-[#6:2](-[H])-[#6:3]

EVODEX.1-Cm176 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#6:2].[H]-[#8:12]-[#8:13]-[H]>>[#8:12]=[#8:13].[H]-[#8:1]-[#6:2]-[H]

EVODEX.1-Nm193 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:1]=[#6:2]-[#6:3].[H]-[#8:12]-[#8:13]-[H]>>[#8:12]=[#8:13].[H]-[#8:1]-[#6:2](-[H])-[#6:3]

Source Full Reactions

EVODEX.1-R179

Full Reaction Rendering

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