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EVODEX.1-P4589

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:13]([C:14]([C:15](=[O:16])[O:17][H:26])([H:27])[H:28])[H:29])N([H])[H]):C([H]):C:1[H]>>[H][N:13]([C:14]([C:15](=[O:16])[O:17][H:26])([H:27])[H:28])[H:29]

Derived Operators

EVODEX.1-F200 - Elemental Balance

O-2
C-9
N-1
H-9

EVODEX.1-M127 - Mass Difference

-163.06337

EVODEX.1-E901 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H:30]>>[#7:3](-[#6@:2])(-[H:30])-[H]

EVODEX.1-C554 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]

EVODEX.1-N707 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:38])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@@:14])-[H:38]

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-R5418

Full Reaction Rendering

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