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EVODEX.1-P5530

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F31 - Elemental Balance

O-1
C-2
H-2

EVODEX.1-M82 - Mass Difference

-42.01056

EVODEX.1-E473 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#7:4](-[#6:5])-[H:62])(-[H])(-[H])-[H]>>[#7:4](-[#6:5])(-[H:62])-[H]

EVODEX.1-C678 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:4]>>[H]-[#7:4]

EVODEX.1-N836 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:4](-[#6:5])-[H:103]>>[H]-[#7:4](-[#6:5])-[H:103]

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-R6267

Full Reaction Rendering

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