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EVODEX.1-P4621

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@]([H])(C(=O)[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30])C([H])([H])[H]>>[H][N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30]

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-R5445

Full Reaction Rendering

[C:1]([C@:2]([N:3]([H:19])[H:20])([C:4](=[O:5])[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:18][H:35]>>[C:1]([C@:2]([N:3]([H:19])[H:20])([C:4](=[O:5])[O:18][H:35])[H:31])([H:32])([H:33])[H:34].[H][N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30]