EVODEX Logo

EVODEX.1-P6149

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:9][C:7]([C@@:2]([N:1]([H:15])[H:16])([C:3]([S:4](=[O:5])[O:6][H:10])([H:11])[H:12])[H:14])=[O:8]>>[C:7](=[O:8])=[O:9].[H][C:2]([N:1]([H:15])[H:16])([C:3]([S:4](=[O:5])[O:6][H:10])([H:11])[H:12])[H:14]

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-R6750

Full Reaction Rendering

[H][O:9][C:7]([C@@:2]([N:1]([H:15])[H:16])([C:3]([S:4](=[O:5])[O:6][H:10])([H:11])[H:12])[H:14])=[O:8]>>[C:7](=[O:8])=[O:9].[H][C:2]([N:1]([H:15])[H:16])([C:3]([S:4](=[O:5])[O:6][H:10])([H:11])[H:12])[H:14]