EVODEX.1-P2467 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:11][C:12]2:[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]([C:18](=[C:19]([C:20]3:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:3[H:45])[H:46])[H:47]):[C:27]:2[H:48])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:11][C:12]1:[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]([C:18](=[C:19]([C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:2[H:45])[H:46])[H:47]):[C:27]:1[H:48]

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-R3218

[H][O:3][P:2](=[O:1])([O:4][H:35])[O:5][H:36].[O:6]([C:7]([C@@:8]1([H:37])[O:9][C@@:10]([O:11][C:12]2:[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]([C:18](=[C:19]([C:20]3:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:3[H:45])[H:46])[H:47]):[C:27]:2[H:48])([H:49])[C@@:28]([O:29][H:50])([H:51])[C@:30]([O:31][H:52])([H:53])[C@@:32]1([O:33][H:54])[H:55])([H:56])[H:57])[H:58]>>[O:1]=[P:2]([O:3][C@@:10]1([H:49])[O:9][C@@:8]([C:7]([O:6][H:58])([H:56])[H:57])([H:37])[C@:32]([O:33][H:54])([H:55])[C@@:30]([O:31][H:52])([H:53])[C@:28]1([O:29][H:50])[H:51])([O:4][H:35])[O:5][H:36].[H][O:11][C:12]1:[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]([C:18](=[C:19]([C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:2[H:45])[H:46])[H:47]):[C:27]:1[H:48]

EVODEX.1-R5290

[H][O:1][H:30].[O:2]([C:3]([C@@:4]1([H:32])[O:5][C@:6]([O:7][C:8]2:[C:9]([H:33]):[C:10]([O:11][H:34]):[C:12]([H:35]):[C:13]([C:14](=[C:15]([C:16]3:[C:17]([H:36]):[C:18]([H:37]):[C:19]([O:20][H:38]):[C:21]([H:39]):[C:22]:3[H:40])[H:41])[H:42]):[C:23]:2[H:43])([H:44])[C@@:24]([O:25][H:45])([H:46])[C@:26]([O:27][H:47])([H:48])[C@@:28]1([O:29][H:49])[H:50])([H:51])[H:52])[H:53]>>[O:1]([C@:6]1([H:44])[O:5][C@@:4]([C:3]([O:2][H:53])([H:51])[H:52])([H:32])[C@:28]([O:29][H:49])([H:50])[C@@:26]([O:27][H:47])([H:48])[C@:24]1([O:25][H:45])[H:46])[H:30].[H][O:7][C:8]1:[C:9]([H:33]):[C:10]([O:11][H:34]):[C:12]([H:35]):[C:13]([C:14](=[C:15]([C:16]2:[C:17]([H:36]):[C:18]([H:37]):[C:19]([O:20][H:38]):[C:21]([H:39]):[C:22]:2[H:40])[H:41])[H:42]):[C:23]:1[H:43]