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EVODEX.1-P4572

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:16])([H:17])[H:18])[H:30])([H:28])[H:29])([C:12](=[O:13])[O:14][H:26])[H:27])[H:25])C([H])([H])[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:16])([H:17])[H:18])[H:30])([H:28])[H:29])([C:12](=[O:13])[O:14][H:26])[H:27])[H:25]

Derived Operators

EVODEX.1-F138 - Elemental Balance

O-1
C-3
N-1
H-5

EVODEX.1-M45 - Mass Difference

-71.03715000000001

EVODEX.1-E790 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:18](-[#6@:13])(-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[H])-[H])-[H])-[H:46]>>[#7:18](-[#6@:13])(-[H:46])-[H]

EVODEX.1-C546 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N697 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:7])-[H:23])-[#6](-[H])(-[H])-[H]>>[H]-[#7:6](-[#6@@:7])-[H:23]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5405

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:16])([H:17])[H:18])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:19])([H:20])[H:21])([N:11]([H:22])[H:23])[H:24])[H:25])([C:12](=[O:13])[O:14][H:26])[H:27])([H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][O:15][H:34]>>[C:7](=[O:8])([C@:9]([C:10]([H:19])([H:20])[H:21])([N:11]([H:22])[H:23])[H:24])[O:15][H:34].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:31])([H:32])[H:33])([C:3]([H:16])([H:17])[H:18])[H:30])([H:28])[H:29])([C:12](=[O:13])[O:14][H:26])[H:27])[H:25]