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EVODEX.1-P6151

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:9]([C@:7]([C:6]([C:5]([C@:3]([C:2]([N:1]([H:24])[H:25])([H:22])[H:23])([O:4][H:12])[H:21])([H:19])[H:20])([H:17])[H:18])([N:8]([H:13])[H:14])[H:16])=[O:10]>>[C:9](=[O:10])=[O:11].[H][C:7]([C:6]([C:5]([C@:3]([C:2]([N:1]([H:24])[H:25])([H:22])[H:23])([O:4][H:12])[H:21])([H:19])[H:20])([H:17])[H:18])([N:8]([H:13])[H:14])[H:16]

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-R6752

Full Reaction Rendering

[H][O:11][C:9]([C@:7]([C:6]([C:5]([C@:3]([C:2]([N:1]([H:24])[H:25])([H:22])[H:23])([O:4][H:12])[H:21])([H:19])[H:20])([H:17])[H:18])([N:8]([H:13])[H:14])[H:16])=[O:10]>>[C:9](=[O:10])=[O:11].[H][C:7]([C:6]([C:5]([C@:3]([C:2]([N:1]([H:24])[H:25])([H:22])[H:23])([O:4][H:12])[H:21])([H:19])[H:20])([H:17])[H:18])([N:8]([H:13])[H:14])[H:16]