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EVODEX.1-P4472

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]1([H])O[C@@]([H])([O:8][C:9]2:[C:10]([H:38]):[C:11]([H:39]):[C:12]([C:13]3:[O:14]:[C:15]4:[C:16]([H:40]):[C:17]([O:18][H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]:4:[C:23](=[O:24]):[C:25]:3[O:26][H:44]):[C:27]([H:45]):[C:28]:2[O:29][H:46])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:8][C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([C:13]2:[O:14]:[C:15]3:[C:16]([H:40]):[C:17]([O:18][H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]:3:[C:23](=[O:24]):[C:25]:2[O:26][H:44]):[C:27]([H:45]):[C:28]:1[O:29][H:46]

Derived Operators

EVODEX.1-F404 - Elemental Balance

C-6
O-6
H-8

EVODEX.1-M396 - Mass Difference

-176.03204

EVODEX.1-E1209 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[#8:8]-[#6@:9])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#8:8](-[#6@:9])-[H]

EVODEX.1-C380 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N452 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8:8]-[#6@:9])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:8]-[#6@:9]

EVODEX.1-Em15 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm18 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5315

Full Reaction Rendering

[O:2]=[C:3]([O:4][H:36])[C@@:5]1([H:37])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:38]):[C:11]([H:39]):[C:12]([C:13]3:[O:14]:[C:15]4:[C:16]([H:40]):[C:17]([O:18][H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]:4:[C:23](=[O:24]):[C:25]:3[O:26][H:44]):[C:27]([H:45]):[C:28]:2[O:29][H:46])([H:47])[C@@:30]([O:31][H:48])([H:49])[C@:32]([O:33][H:50])([H:51])[C@@:34]1([O:35][H:52])[H:53].[H][O:1][H:54]>>[O:1]([C:7]1([H:47])[O:6][C@@:5]([C:3](=[O:2])[O:4][H:36])([H:37])[C@:34]([O:35][H:52])([H:53])[C@@:32]([O:33][H:50])([H:51])[C@:30]1([O:31][H:48])[H:49])[H:54].[H][O:8][C:9]1:[C:10]([H:38]):[C:11]([H:39]):[C:12]([C:13]2:[O:14]:[C:15]3:[C:16]([H:40]):[C:17]([O:18][H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]:3:[C:23](=[O:24]):[C:25]:2[O:26][H:44]):[C:27]([H:45]):[C:28]:1[O:29][H:46]