EVODEX.1-P4035 - Partial Reaction

SMIRKS

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O	1
H	2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E389 - Reaction Operator E

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[#6:20](-[#8:21])(-[#6:22])(-[H:30])-[H].[#6:17]-[#6:18](=[#8:19])-[#8]-[H]

EVODEX.1-C38 - Reaction Operator C

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

EVODEX.1-N642 - Reaction Operator N

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])(-[#6:22])-[H:30]>>[H]-[#6:20](-[#8:21])(-[#6:22])-[H:30].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]

EVODEX.1-Em608 - Reaction Operator Em

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]

EVODEX.1-Cm81 - Reaction Operator Cm

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

EVODEX.1-Nm543 - Reaction Operator Nm

[#6:17]-[#6:18](=[#8:19])-[#6:20](-[#8:21])-[#6:22]>>[H]-[#6:20](-[#8:21])-[#6:22].[H]-[#8]-[#6:18](-[#6:17])=[#8:19]

Source Full Reactions

EVODEX.1-R4878

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