EVODEX.1-P4453 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O[C@@]([H])([O:5][C:6]2:[C:7]([H:23]):[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]:2[N+:12](=[O:13])[O-:14])[C@]1([H])O[H]>>[H][O:5][C:6]1:[C:7]([H:23]):[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]:1[N+:12](=[O:13])[O-:14]

Derived Operators

EVODEX.1-F395 - Elemental Balance

O	-4
C	-6
H	-10

EVODEX.1-M391 - Mass Difference

-146.05790000000002

EVODEX.1-E1200 - Reaction Operator E

[#6](-[#6@]1(-[H])-[#8]-[#6@](-[#8:5]-[#6:6])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#8:5](-[#6:6])-[H]

EVODEX.1-C539 - Reaction Operator C

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]

EVODEX.1-N688 - Reaction Operator N

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5]-[#6@@:6])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]-[#6@@:6]

EVODEX.1-Em15 - Reaction Operator Em

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm18 - Reaction Operator Nm

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5294

[C:1]([C@@:2]1([H:22])[O:3][C@:4]([O:5][C:6]2:[C:7]([H:23]):[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]:2[N+:12](=[O:13])[O-:14])([H:27])[C@@:15]([O:16][H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@:19]1([O:20][H:32])[H:33])([H:34])([H:35])[H:36].[H][O:21][H:37]>>[C:1]([C@@:2]1([H:22])[O:3][C@:4]([O:21][H:37])([H:27])[C@@:15]([O:16][H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@:19]1([O:20][H:32])[H:33])([H:34])([H:35])[H:36].[H][O:5][C:6]1:[C:7]([H:23]):[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]:1[N+:12](=[O:13])[O-:14]