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EVODEX.1-P4471

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]1([H])O[C@@]([H])([O:8][C:9]2:[C:10]([C:11]3:[C:12]([H:37]):[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]:3[H:41]):[O:18]:[C:19]3:[C:20]([H:42]):[C:21]([O:22][H:43]):[C:23]([H:44]):[C:24]([O:25][H:45]):[C:26]:3:[C:27]:2=[O:28])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][O:8][C:9]1:[C:10]([C:11]2:[C:12]([H:37]):[C:13]([H:38]):[C:14]([O:15][H:39]):[C:16]([H:40]):[C:17]:2[H:41]):[O:18]:[C:19]2:[C:20]([H:42]):[C:21]([O:22][H:43]):[C:23]([H:44]):[C:24]([O:25][H:45]):[C:26]:2:[C:27]:1=[O:28]

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-R5314

Full Reaction Rendering

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