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EVODEX.1-P1059

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C:2]([H])([C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([H:15]):[C:7]([Cl:8]):[C:9]:1[H:16])[H:17]>>O=[C:2]([C:3]1:[C:4]([H:13]):[C:5]([H:14]):[C:6]([H:15]):[C:7]([Cl:8]):[C:9]:1[H:16])[H:17]

Derived Operators

EVODEX.1-F72 - Elemental Balance

O1
N-1
H-3

EVODEX.1-M60 - Mass Difference

-1.0316900000000002

EVODEX.1-E620 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:20](-[#6@@:19])(-[#7](-[H])-[H])(-[H:63])-[H]>>[#6:20](-[#6@@:19])(=[#8])-[H:63]

EVODEX.1-C60 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N242 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6:8](-[H])(-[#6:9])-[H:22]>>[#8]=[#6:8](-[#6:9])-[H:22]

EVODEX.1-Em364 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[H])-[#6:8](-[H])-[#6:9]>>[#8]=[#6:8]-[#6:9]

EVODEX.1-Cm97 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:8]-[H]>>[#8]=[#6:8]

EVODEX.1-Nm324 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[H])-[#6:8](-[H])-[#6:9]>>[#8]=[#6:8]-[#6:9]

Source Full Reactions

EVODEX.1-R1013

Full Reaction Rendering

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