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EVODEX.1-P6525

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])(O[H])[N:5]([C:4]([C@@:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:1[H:27])[H:28])([H:21])[H:22])[H:20]>>[H][N:5]([C:4]([C@@:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([C:11]1:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:1[H:27])[H:28])([H:21])[H:22])[H:20]

Derived Operators

EVODEX.1-F97 - Elemental Balance

C-2
O-3
H-2

EVODEX.1-M109 - Mass Difference

-74.00036

EVODEX.1-E682 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](-[#8]-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H]

EVODEX.1-C754 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N961 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5](-[#6:4])-[H:20]>>[H]-[#7:5](-[#6:4])-[H:20]

EVODEX.1-Em779 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm700 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7104

Full Reaction Rendering

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