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EVODEX.1-P1067

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C:7]([H])([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([H:13]):[C:2]([C:1]([H:21])([H:22])[H:23]):[C:9]:1[H:20])[H:18].[O:11]=[O:12]>>O=[C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([H:13]):[C:2]([C:1]([H:21])([H:22])[H:23]):[C:9]:1[H:20])[H:18].[H][O:11][O:12][H]

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-E638 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C61 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N233 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6:7](-[H])(-[#6:6])-[H:18].[#8:11]=[#8:12]>>[#8]=[#6:7](-[#6:6])-[H:18].[H]-[#8:11]-[#8:12]-[H]

EVODEX.1-Em348 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm98 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]

EVODEX.1-Nm315 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1015

Full Reaction Rendering

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