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EVODEX.1-P937

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E43 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:4](-[#7:5](-[H:10])-[H:11])(-[H:12])-[H].[#8:6](-[H])-[H]>>[#6:2]-[#6:4](=[#8:6])-[H:12].[#7:5](-[H:10])(-[H:11])-[H]

EVODEX.1-C19 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-N237 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:7](-[#6:6])(-[#7:8](-[H:16])-[H:17])-[H:18].[H]-[#8:10]-[H]>>[#6:6]-[#6:7](=[#8:10])-[H:18].[H]-[#7:8](-[H:16])-[H:17]

EVODEX.1-Em352 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:7](-[#6:6])-[#7:8].[H]-[#8:10]-[H]>>[#6:6]-[#6:7]=[#8:10].[H]-[#7:8]

EVODEX.1-Cm56 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2]

EVODEX.1-Nm319 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:7](-[#6:6])-[#7:8].[H]-[#8:10]-[H]>>[#6:6]-[#6:7]=[#8:10].[H]-[#7:8]

Source Full Reactions

EVODEX.1-R921

Full Reaction Rendering

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