EVODEX Logo

EVODEX.1-P134

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[O:2].[H][O:3][C:4]1([H])[O:5][C:6]([H:14])([H:15])[C@:7]([O:8][H:16])([H:17])[C@@:9]([O:10][H:18])([H:19])[C@:11]1([O:12][H:20])[H:21]>>[O:3]=[C:4]1[O:5][C:6]([H:14])([H:15])[C@:7]([O:8][H:16])([H:17])[C@@:9]([O:10][H:18])([H:19])[C@:11]1([O:12][H:20])[H:21].[H][O:1][O:2][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E196 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#8:2].[#8:10]-[#6:11](-[#8:12]-[H])(-[H])-[#6@@:13]>>[#8:10]-[#6:11](=[#8:12])-[#6@@:13].[#8:1](-[#8:2]-[H])-[H]

EVODEX.1-C40 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-N1191 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#8:5])-[#6@:11]>>[#8:3]=[#6:4](-[#8:5])-[#6@:11].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Em183 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#8:5])-[#6:11]>>[#8:3]=[#6:4](-[#8:5])-[#6:11].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Cm63 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]

EVODEX.1-Nm190 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])(-[#8:5])-[#6:11]>>[#8:3]=[#6:4](-[#8:5])-[#6:11].[H]-[#8:1]-[#8:2]-[H]

Source Full Reactions

EVODEX.1-R175

Full Reaction Rendering

[O:1]=[O:2].[H][O:3][C:4]1([H])[O:5][C:6]([H:14])([H:15])[C@:7]([O:8][H:16])([H:17])[C@@:9]([O:10][H:18])([H:19])[C@:11]1([O:12][H:20])[H:21]>>[O:3]=[C:4]1[O:5][C:6]([H:14])([H:15])[C@:7]([O:8][H:16])([H:17])[C@@:9]([O:10][H:18])([H:19])[C@:11]1([O:12][H:20])[H:21].[H][O:1][O:2][H]