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EVODEX.1-P6152

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:12][C:10]([C@:8]([C:7]([C:6]1:[N:2]([C:1]([H:21])([H:22])[H:23]):[C:3]([H:13]):[N:4]:[C:5]:1[H:14])([H:19])[H:20])([N:9]([H:15])[H:16])[H:18])=[O:11]>>[C:10](=[O:11])=[O:12].[H][C:8]([C:7]([C:6]1:[N:2]([C:1]([H:21])([H:22])[H:23]):[C:3]([H:13]):[N:4]:[C:5]:1[H:14])([H:19])[H:20])([N:9]([H:15])[H:16])[H:18]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E154 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6@:8](-[#7:9])(-[#6:10](=[#8:11])-[#8:12]-[H])-[H:16]>>[#6:10](=[#8:11])=[#8:12].[#6:7]-[#6:8](-[#7:9])(-[H:16])-[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-N912 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:10]-[#6:8](-[#6@:6](-[#6:5])(-[#7:7])-[H:17])=[#8:9]>>[#6:8](=[#8:9])=[#8:10].[H]-[#6:6](-[#6:5])(-[#7:7])-[H:17]

EVODEX.1-Em721 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:10]-[#6:8](-[#6:6](-[#6:5])-[#7:7])=[#8:9]>>[#6:8](=[#8:9])=[#8:10].[H]-[#6:6](-[#6:5])-[#7:7]

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-Nm650 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:10]-[#6:8](-[#6:6](-[#6:5])-[#7:7])=[#8:9]>>[#6:8](=[#8:9])=[#8:10].[H]-[#6:6](-[#6:5])-[#7:7]

Source Full Reactions

EVODEX.1-R6753

Full Reaction Rendering

[H][O:12][C:10]([C@:8]([C:7]([C:6]1:[N:2]([C:1]([H:21])([H:22])[H:23]):[C:3]([H:13]):[N:4]:[C:5]:1[H:14])([H:19])[H:20])([N:9]([H:15])[H:16])[H:18])=[O:11]>>[C:10](=[O:11])=[O:12].[H][C:8]([C:7]([C:6]1:[N:2]([C:1]([H:21])([H:22])[H:23]):[C:3]([H:13]):[N:4]:[C:5]:1[H:14])([H:19])[H:20])([N:9]([H:15])[H:16])[H:18]