EVODEX.1-P4289 - Partial Reaction

SMIRKS

[H]OS(=O)(=O)O[C:7]([C@@:6]1([H:24])[O:5][C:3]([O:4][H:19])([H:20])[C@@:2]([N:1]([H:29])[H:30])([H:18])[C@:15]([O:16][H:27])([H:28])[C@:13]1([O:14][H:25])[H:26])([H:22])[H:23].[H][O:17][H:31]>>[N:1]([C@@:2]1([H:18])[C:3]([O:4][H:19])([H:20])[O:5][C@@:6]([C:7]([O:17][H:31])([H:22])[H:23])([H:24])[C@@:13]([O:14][H:25])([H:26])[C@@:15]1([O:16][H:27])[H:28])([H:29])[H:30]

Derived Operators

EVODEX.1-F141 - Elemental Balance

O	-4
S	-1
H	-2

EVODEX.1-M113 - Mass Difference

-97.96736

EVODEX.1-E796 - Reaction Operator E

[#6:25](-[#6@@:24])(-[#8]-[#16](=[#8])(=[#8])-[#8]-[H])(-[H:43])-[H:44].[#8:37](-[H:85])-[H]>>[#6:25](-[#6@@:24])(-[#8:37]-[H:85])(-[H:43])-[H:44]

EVODEX.1-C1382 - Reaction Operator C

([H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:7].[#6@:15]-[#6@:13]).[H]-[#8:17]>>([#6:7]-[#8:17].[#6@@:13]-[#6@@:15])

EVODEX.1-N1757 - Reaction Operator N

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:7](-[#6@@:6]-[#6@@:13](-[#6@@:15](-[#6@@:2])(-[#8:16])-[H:28])(-[#8:14])-[H:26])(-[H:22])-[H:23].[H]-[#8:17]-[H:31]>>[#6:7](-[#6@@:6]-[#6@@:13](-[#8:14])(-[H:26])-[#6@@:15](-[#6@@:2])(-[#8:16])-[H:28])(-[#8:17]-[H:31])(-[H:22])-[H:23]

EVODEX.1-Em630 - Reaction Operator Em

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

EVODEX.1-Cm6 - Reaction Operator Cm

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm565 - Reaction Operator Nm

[#16]-[#8]-[#6:7]-[#6:6].[H]-[#8:17]>>[#6:6]-[#6:7]-[#8:17]

Source Full Reactions

EVODEX.1-R5132

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