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EVODEX.1-P4656

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F262 - Elemental Balance

O-1
C-2
N-1
H-3

EVODEX.1-M86 - Mass Difference

-57.02149000000001

EVODEX.1-E992 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6](-[#6](=[#8])-[#7:5](-[#6@:6])-[H:78])(-[H])-[H])(-[H])-[H]>>[#7:5](-[#6@:6])(-[H:78])-[H]

EVODEX.1-C133 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]

EVODEX.1-N705 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22](-[#6:21])-[H:47]>>[H]-[#7:22](-[#6:21])-[H:47]

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-R5476

Full Reaction Rendering

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