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EVODEX.1-P660

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:9]([C:8]1:[C:3]([O:2][C:1]([H:19])([H:20])[H:21]):[C:4]([H:14]):[C:5]([H:15]):[C:6]([H:16]):[C:7]:1[H:17])=[O:10].[O:12]=[O:13].[H][O:11][H:22]>>[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]:1[C:9](=[O:10])[O:11][H:22])([H:19])([H:20])[H:21].[H][O:12][O:13][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E153 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](=[#8:7])-[H].[#8:15]=[#8:16].[#8:14](-[H:27])-[H]>>[#6:5]-[#6:6](=[#8:7])-[#8:14]-[H:27].[#8:15](-[#8:16]-[H])-[H]

EVODEX.1-C100 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-N30 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]-[H:18]>>[#6:3]-[#6:5](=[#8:6])-[#8:7]-[H:18].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Em293 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](=[#8:2])-[#6:4].[#8:9]=[#8:10].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:9]-[#8:10]-[H]

EVODEX.1-Cm122 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Nm101 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

Source Full Reactions

EVODEX.1-R613

Full Reaction Rendering

[H][C:9]([C:8]1:[C:3]([O:2][C:1]([H:19])([H:20])[H:21]):[C:4]([H:14]):[C:5]([H:15]):[C:6]([H:16]):[C:7]:1[H:17])=[O:10].[O:12]=[O:13].[H][O:11][H:22]>>[C:1]([O:2][C:3]1:[C:4]([H:14]):[C:5]([H:15]):[C:6]([H:16]):[C:7]([H:17]):[C:8]:1[C:9](=[O:10])[O:11][H:22])([H:19])([H:20])[H:21].[H][O:12][O:13][H]