EVODEX.1-P4277 - Partial Reaction

SMIRKS

[H]OS(=O)(=O)O[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17].[H][O:14][H:33]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([O:14][H:33])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]

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-C523 - Reaction Operator C

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4].[H]-[#8:16]>>[#8:16]-[#6@:4]

EVODEX.1-N1247 - Reaction Operator N

[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6:7](-[#6@@:8])(-[H:51])-[H:52].[H]-[#8:1]-[H:53]>>[#8:1](-[#6:7](-[#6@@:8])(-[H:51])-[H:52])-[H:53]

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-R5122

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