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EVODEX.1-P926

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:3]([N:2]([C:1]([H:20])([H:21])[H:22])[H:19])([C:4]([C:5](=[O:6])[O:7][H:14])([H:15])[H:16])[C:8](=[O:9])[O:10][H:17].[H][O:11][H]>>[C:3]([C:4]([C:5](=[O:6])[O:7][H:14])([H:15])[H:16])([C:8](=[O:9])[O:10][H:17])=[O:11].[H][N:2]([C:1]([H:20])([H:21])[H:22])[H:19]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E57 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:50]-[#7:51](-[#6@@:52](-[#6:53])(-[#6:58]=[#8:59])-[H])-[H:100].[#8:64](-[H])-[H]>>[#6:52](-[#6:53])(-[#6:58]=[#8:59])=[#8:64].[#6:50]-[#7:51](-[H:100])-[H]

EVODEX.1-C19 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-N229 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:52](-[#7:51](-[#6:50])-[H:100])(-[#6:53])-[#6:58].[H]-[#8:64]-[H]>>[#6:52](-[#6:53])(-[#6:58])=[#8:64].[H]-[#7:51](-[#6:50])-[H:100]

EVODEX.1-Em343 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58]=[#8:59].[H]-[#8:64]-[H]>>[#6:52](-[#6:53])(-[#6:58]=[#8:59])=[#8:64].[H]-[#7:51]-[#6:50]

EVODEX.1-Cm56 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-Nm312 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:52](-[#7:51]-[#6:50])(-[#6:53])-[#6:58].[H]-[#8:64]-[H]>>[#6:52](-[#6:53])(-[#6:58])=[#8:64].[H]-[#7:51]-[#6:50]

Source Full Reactions

EVODEX.1-R912

Full Reaction Rendering

[H][C@@:3]([N:2]([C:1]([H:20])([H:21])[H:22])[H:19])([C:4]([C:5](=[O:6])[O:7][H:14])([H:15])[H:16])[C:8](=[O:9])[O:10][H:17].[O:12]=[O:13].[H][O:11][H]>>[C:3]([C:4]([C:5](=[O:6])[O:7][H:14])([H:15])[H:16])([C:8](=[O:9])[O:10][H:17])=[O:11].[H][N:2]([C:1]([H:20])([H:21])[H:22])[H:19].[H][O:12][O:13][H]