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EVODEX.1-P4586

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:15])([H:16])[H:17])[H:27])([H:25])[H:26])([C:11](=[O:12])[O:13][H:23])[H:24])[H:22]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:15])([H:16])[H:17])[H:27])([H:25])[H:26])([C:11](=[O:12])[O:13][H:23])[H:24])[H:22]

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-R5416

Full Reaction Rendering

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