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EVODEX.1-P6054

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E367 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](-[#6:5](=[#8:6])-[#6:7])(-[H:21])-[H:22]>>[#6:3]-[#6:4](-[H:21])(-[H:22])-[H].[#8](-[#6:5](=[#8:6])-[#6:7])-[H]

EVODEX.1-C38 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:10]-[#6:11]>>[H]-[#6:10].[H]-[#8]-[#6:11]

EVODEX.1-N892 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:8](-[#6:9](-[#6:10])=[#8:11])(-[H:16])-[H:17]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#6:8](-[#6:6])(-[H:16])-[H:17]

EVODEX.1-Em702 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm81 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]-[#6:11]>>[H]-[#6:10].[#8]-[#6:11]

EVODEX.1-Nm631 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6681

Full Reaction Rendering

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