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EVODEX.1-P5283

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:6]([C:7]([C:8]([H:18])([H:19])[H:20])([C:9]([C:10](=[O:11])[H:21])([H:22])[H:23])[H:24])([H:25])([H:26])[H:27]>>[H]O[C@@]([H])(C(=O)C([H])([H])[H])[C@:10]([C:9]([C:7]([C:6]([H:25])([H:26])[H:27])([C:8]([H:18])([H:19])[H:20])[H:24])([H:22])[H:23])([O:11][H])[H:21]

Derived Operators

EVODEX.1-F148 - Elemental Balance

O2
C3
H6

EVODEX.1-M117 - Mass Difference

74.03678000000001

EVODEX.1-E811 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:6]=[#6:7](-[#6:8])-[H:22]>>[#6](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:22])-[H])(-[H])(-[H])-[H]

EVODEX.1-C659 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N815 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:6]=[#6:7](-[#6:8])-[H:22]>>[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:22]

EVODEX.1-Em72 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm31 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]=[#8:11]>>[#6]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm86 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6043

Full Reaction Rendering

[H][C:4]([C:2]([C:1]([H:15])([H:16])[H:17])=[O:3])([O:5][H:12])[H:13].[C:6]([C:7]([C:8]([H:18])([H:19])[H:20])([C:9]([C:10](=[O:11])[H:21])([H:22])[H:23])[H:24])([H:25])([H:26])[H:27]>>[H][O:11][C@:10]([C@:4]([C:2]([C:1]([H:15])([H:16])[H:17])=[O:3])([O:5][H:12])[H:13])([C:9]([C:7]([C:6]([H:25])([H:26])[H:27])([C:8]([H:18])([H:19])[H:20])[H:24])([H:22])[H:23])[H:21]