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EVODEX.1-P3985

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]1[O:4][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[C:7]1([Br:8])[H:13].[H][O:1][H:14]>>[H][O:4][C:5]([C:6]([C:7]([C:3]([O:1][H:14])=[O:2])([Br:8])[H:13])([H:11])[H:12])([H:9])[H:10]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E185 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:81]-[#6:83](=[#8:84])-[#8:85]-[#6:86].[#8:92](-[H:177])-[H]>>([#6:81]-[#6:83](=[#8:84])-[#8:92]-[H:177].[#6:86]-[#8:85]-[H])

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N613 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#6:5])-[#6:7].[H]-[#8:1]-[H:14]>>([H]-[#8:4]-[#6:5].[#6:7]-[#6:3](-[#8:1]-[H:14])=[#8:2])

EVODEX.1-Em587 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#6:5])-[#6:7].[H]-[#8:1]>>([H]-[#8:4]-[#6:5].[#6:7]-[#6:3](-[#8:1])=[#8:2])

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm527 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#6:5])-[#6:7].[H]-[#8:1]>>([H]-[#8:4]-[#6:5].[#6:7]-[#6:3](-[#8:1])=[#8:2])

Source Full Reactions

EVODEX.1-R4833

Full Reaction Rendering

[O:2]=[C:3]1[O:4][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[C:7]1([Br:8])[H:13].[H][O:1][H:14]>>[H][O:4][C:5]([C:6]([C:7]([C:3]([O:1][H:14])=[O:2])([Br:8])[H:13])([H:11])[H:12])([H:9])[H:10]