EVODEX.1-P4473 - Partial Reaction

SMIRKS

[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])([O:7][C:8]2:[C:9]([H:28]):[C:10]([H:29]):[C:11]3:[C:12]([H:30]):[C:13]([Br:14]):[C:15]([H:31]):[C:16]([H:32]):[C:17]:3:[C:18]:2[H:33])OC([H])([H])[C@@]1([H])O[H]>>[H][O:7][C:8]1:[C:9]([H:28]):[C:10]([H:29]):[C:11]2:[C:12]([H:30]):[C:13]([Br:14]):[C:15]([H:31]):[C:16]([H:32]):[C:17]:2:[C:18]:1[H:33]

Derived Operators

EVODEX.1-F144 - Elemental Balance

O	-4
C	-5
H	-8

EVODEX.1-M115 - Mass Difference

-132.04224

EVODEX.1-E802 - Reaction Operator E

[#8](-[#6@]1(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8:7]-[#6@:8])(-[H])-[#8]-[#6](-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H]>>[#8:7](-[#6@:8])-[H]

EVODEX.1-C535 - Reaction Operator C

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:7])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]

EVODEX.1-N683 - Reaction Operator N

[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8:7]-[#6@:8])-[#8]-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]-[#6@:8]

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-R5316

[H][O:1][H:23].[O:2]([C@:3]1([H:25])[C@:4]([O:5][H:26])([H:27])[C@@:6]([O:7][C:8]2:[C:9]([H:28]):[C:10]([H:29]):[C:11]3:[C:12]([H:30]):[C:13]([Br:14]):[C:15]([H:31]):[C:16]([H:32]):[C:17]:3:[C:18]:2[H:33])([H:34])[O:19][C:20]([H:35])([H:36])[C@:21]1([O:22][H:37])[H:38])[H:39]>>[O:1]([C@@:6]1([H:34])[C@@:4]([O:5][H:26])([H:27])[C@:3]([O:2][H:39])([H:25])[C@@:21]([O:22][H:37])([H:38])[C:20]([H:35])([H:36])[O:19]1)[H:23].[H][O:7][C:8]1:[C:9]([H:28]):[C:10]([H:29]):[C:11]2:[C:12]([H:30]):[C:13]([Br:14]):[C:15]([H:31]):[C:16]([H:32]):[C:17]:2:[C:18]:1[H:33]