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EVODEX.1-P6057

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])(N([H])[H])C([H])([H])[C:10]([C:9]1:[C:2]([N:1]([H:27])[H:28]):[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]:1[H:20])=[O:11].[H][O:18][H:29]>>[N:1]([C:2]1:[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]([H:20]):[C:9]:1[C:10](=[O:11])[O:18][H:29])([H:27])[H:28]

Derived Operators

EVODEX.1-F263 - Elemental Balance

O-2
C-3
N-1
H-7

EVODEX.1-M49 - Mass Difference

-89.04771000000001

EVODEX.1-E998 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8]-[#6:9](=[#8:10])-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:17](-[H:29])-[H]>>[#6:8]-[#6:9](=[#8:10])-[#8:17]-[H:29]

EVODEX.1-C725 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N896 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]-[H:29]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]-[H:29]

EVODEX.1-Em135 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]

EVODEX.1-Cm109 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#6:10].[H]-[#8:1]>>[#8:1]-[#6:10]

EVODEX.1-Nm165 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]

Source Full Reactions

EVODEX.1-R6684

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]([H:20]):[C:9]:1[C:10](=[O:11])[C:12]([C:13]([N:14]([H:21])[H:22])([C:15](=[O:16])[O:17][H:23])[H:24])([H:25])[H:26])([H:27])[H:28].[H][O:18][H:29]>>[H][C:12]([C:13]([N:14]([H:21])[H:22])([C:15](=[O:16])[O:17][H:23])[H:24])([H:25])[H:26].[N:1]([C:2]1:[C:3]([Cl:4]):[C:5]([H:19]):[C:6]([Br:7]):[C:8]([H:20]):[C:9]:1[C:10](=[O:11])[O:18][H:29])([H:27])[H:28]