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EVODEX.1-P1157

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E413 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#7:2](-[#6:3])-[H:24])(-[H:25])(-[H:26])-[H]>>[#6:1](=[#8])(-[H:25])-[H:26].[#7:2](-[#6:3])(-[H:24])-[H]

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-N263 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#7:2](-[#6:3])-[H:24])(-[H:25])-[H:26]>>[#8]=[#6:1](-[H:25])-[H:26].[H]-[#7:2](-[#6:3])-[H:24]

EVODEX.1-Em384 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#7:2]-[#6:3]>>[#8]=[#6:1].[H]-[#7:2]-[#6:3]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2]>>[#8]=[#6:1].[H]-[#7:2]

EVODEX.1-Nm344 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#7:2]-[#6:3]>>[#8]=[#6:1].[H]-[#7:2]-[#6:3]

Source Full Reactions

EVODEX.1-R1088

Full Reaction Rendering

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