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EVODEX.1-P5858

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[N:8][H:16])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]>>O=[C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4]([H:13])([H:14])[H:15])[H:21])([C:9](=[O:10])[O:11][H:19])[H:20])[H:18])[H:17].[H][N:8]([H])[H:16]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E342 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5]-[#6:6](=[#7:7]-[H:15])-[H:16]>>[#7:5]-[#6:6](=[#8])-[H:16].[#7:7](-[H:15])(-[H])-[H]

EVODEX.1-C1021 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:7]=[#7:8].[#6@:5])>>([#8]=[#6:7].[#6@@:5]).[H]-[#7:8]-[H]

EVODEX.1-N1275 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6@:5](-[#7:6]-[#6:7](=[#7:8]-[H:13])-[H:14])(-[#6:9])-[H:17]>>[#8]=[#6:7](-[#7:6]-[#6@@:5](-[#6:4])(-[#6:9])-[H:17])-[H:14].[H]-[#7:8](-[H])-[H:13]

EVODEX.1-Em684 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3].[H]-[#7:1]-[H]

EVODEX.1-Cm170 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]=[#6:5]>>[H]-[#7:4]-[H].[#8]=[#6:5]

EVODEX.1-Nm617 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3].[H]-[#7:1]-[H]

Source Full Reactions

EVODEX.1-R6543

Full Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[N:8][H:16])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][O:12][H]>>[C:1]([C:2]([C@:3]([C:4]([H:13])([H:14])[H:15])([C@:5]([N:6]([C:7](=[O:12])[H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][N:8]([H])[H:16]