EVODEX.1-P2487 - Partial Reaction

SMIRKS

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:5][C:4]2:[C:3]([O:2][C:1]([H:62])([H:63])[H:64]):[C:32]3:[C:20](:[C:18]([O:19][H:55]):[C:17]:2[H:54]):[C:21](=[O:22]):[C:23]([H:56]):[C:24]([C:25]2:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:2[H:61]):[O:31]:3)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:5][C:4]1:[C:3]([O:2][C:1]([H:62])([H:63])[H:64]):[C:32]2:[C:20](:[C:18]([O:19][H:55]):[C:17]:1[H:54]):[C:21](=[O:22]):[C:23]([H:56]):[C:24]([C:25]1:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:1[H:61]):[O:31]:2

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-R3234

[C:1]([O:2][C:3]1:[C:4]([O:5][C@:6]2([H:43])[O:7][C@@:8]([C:9]([O:10][H:44])([H:45])[H:46])([H:47])[C@:11]([O:12][H:48])([H:49])[C@@:13]([O:14][H:50])([H:51])[C@:15]2([O:16][H:52])[H:53]):[C:17]([H:54]):[C:18]([O:19][H:55]):[C:20]2:[C:21](=[O:22]):[C:23]([H:56]):[C:24]([C:25]3:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:3[H:61]):[O:31]:[C:32]:1:2)([H:62])([H:63])[H:64].[H][O:42][C:41]1:[C:36]([N+:34](=[O:33])[O-:35]):[C:37]([H:65]):[C:38]([H:66]):[C:39]([H:67]):[C:40]:1[H:68]>>[C@@:6]1([O:42][C:41]2:[C:36]([N+:34](=[O:33])[O-:35]):[C:37]([H:65]):[C:38]([H:66]):[C:39]([H:67]):[C:40]:2[H:68])([H:43])[O:7][C@@:8]([C:9]([O:10][H:44])([H:45])[H:46])([H:47])[C@:11]([O:12][H:48])([H:49])[C@@:13]([O:14][H:50])([H:51])[C@:15]1([O:16][H:52])[H:53].[H][O:5][C:4]1:[C:3]([O:2][C:1]([H:62])([H:63])[H:64]):[C:32]2:[C:20](:[C:18]([O:19][H:55]):[C:17]:1[H:54]):[C:21](=[O:22]):[C:23]([H:56]):[C:24]([C:25]1:[C:26]([H:57]):[C:27]([H:58]):[C:28]([H:59]):[C:29]([H:60]):[C:30]:1[H:61]):[O:31]:2