EVODEX.1-P4520 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:7][C@:8]2([H:39])[C@:9]([O:10][H:40])([H:41])[C@@:11]([O:12][C@@:13]3([H:42])[C@@:14]([O:15][H:43])([H:44])[C@:16]([O:17][H:45])([H:46])[C@@:18]([O:19][H:47])([H:48])[O:20][C@@:21]3([C:22]([O:23][H:49])([H:50])[H:51])[H:52])([H:53])[O:24][C@@:25]([C:26]([O:27][H:54])([H:55])[H:56])([H:57])[C@:28]2([O:29][H:58])[H:59])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:7][C@:8]1([H:39])[C@:9]([O:10][H:40])([H:41])[C@@:11]([O:12][C@@:13]2([H:42])[C@@:14]([O:15][H:43])([H:44])[C@:16]([O:17][H:45])([H:46])[C@@:18]([O:19][H:47])([H:48])[O:20][C@@:21]2([C:22]([O:23][H:49])([H:50])[H:51])[H:52])([H:53])[O:24][C@@:25]([C:26]([O:27][H:54])([H:55])[H:56])([H:57])[C@:28]1([O:29][H:58])[H:59]

Derived Operators

EVODEX.1-F43 - Elemental Balance

O	-5
C	-6
H	-10

EVODEX.1-M30 - Mass Difference

-162.0528

EVODEX.1-E519 - Reaction Operator E

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

EVODEX.1-C83 - Reaction Operator C

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

EVODEX.1-N456 - Reaction Operator N

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:7]-[#6@:8])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[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-R5354

[H][O:1][H:36].[O:2]([C:3]([C@@:4]1([H:38])[O:5][C@:6]([O:7][C@:8]2([H:39])[C@:9]([O:10][H:40])([H:41])[C@@:11]([O:12][C@@:13]3([H:42])[C@@:14]([O:15][H:43])([H:44])[C@:16]([O:17][H:45])([H:46])[C@@:18]([O:19][H:47])([H:48])[O:20][C@@:21]3([C:22]([O:23][H:49])([H:50])[H:51])[H:52])([H:53])[O:24][C@@:25]([C:26]([O:27][H:54])([H:55])[H:56])([H:57])[C@:28]2([O:29][H:58])[H:59])([H:60])[C@@:30]([O:31][H:61])([H:62])[C@:32]([O:33][H:63])([H:64])[C@@:34]1([O:35][H:65])[H:66])([H:67])[H:68])[H:69]>>[O:1]([C:6]1([H:60])[O:5][C@@:4]([C:3]([O:2][H:69])([H:67])[H:68])([H:38])[C@:34]([O:35][H:65])([H:66])[C@@:32]([O:33][H:63])([H:64])[C@:30]1([O:31][H:61])[H:62])[H:36].[H][O:7][C@:8]1([H:39])[C@:9]([O:10][H:40])([H:41])[C@@:11]([O:12][C@@:13]2([H:42])[C@@:14]([O:15][H:43])([H:44])[C@:16]([O:17][H:45])([H:46])[C@@:18]([O:19][H:47])([H:48])[O:20][C@@:21]2([C:22]([O:23][H:49])([H:50])[H:51])[H:52])([H:53])[O:24][C@@:25]([C:26]([O:27][H:54])([H:55])[H:56])([H:57])[C@:28]1([O:29][H:58])[H:59]