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EVODEX.1-P5839

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@:4]1([H:15])[N:5]([H:16])[C:6](=[O:7])[N:8]([H:17])[C:9]1=[O:10])[H:18])([H:19])([H:20])[H:21]>>[H]O[C:9]([C@:4]([C:2]([C:1]([H:19])([H:20])[H:21])([C:3]([H:12])([H:13])[H:14])[H:18])([N:5]([C:6](=[O:7])[N:8]([H])[H:17])[H:16])[H:15])=[O:10]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E368 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68]>>([#8](-[#6:35](=[#8:34])-[#6:36])-[H].[#6:39]-[#7:43](-[H:68])-[H])

EVODEX.1-C706 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:35]-[#7:43]>>([H]-[#8]-[#6:35].[#7:43]-[H])

EVODEX.1-N871 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43](-[#6:39])-[H:68]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43](-[H])-[H:68])

EVODEX.1-Em680 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43]-[H])

EVODEX.1-Cm273 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:35]-[#7:43]>>([#8]-[#6:35].[#7:43]-[H])

EVODEX.1-Nm613 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:34]=[#6:35](-[#6:36])-[#7:43]-[#6:39]>>([H]-[#8]-[#6:35](=[#8:34])-[#6:36].[#6:39]-[#7:43]-[H])

Source Full Reactions

EVODEX.1-R6528

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@:4]1([H:15])[N:5]([H:16])[C:6](=[O:7])[N:8]([H:17])[C:9]1=[O:10])[H:18])([H:19])([H:20])[H:21].[H][O:11][H:22]>>[H][N:8]([C:6]([N:5]([C@@:4]([C:2]([C:1]([H:19])([H:20])[H:21])([C:3]([H:12])([H:13])[H:14])[H:18])([C:9](=[O:10])[O:11][H:22])[H:15])[H:16])=[O:7])[H:17]