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EVODEX.1-P4083

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])[O:16][C:14]([C:13]1:[C:8]([C:6]([O:5][C:4]([C:3]([C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:7]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:1[H:25])=[O:15]>>[H][O:16][C:14]([C:13]1:[C:8]([C:6]([O:5][C:4]([C:3]([C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])=[O:7]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:1[H:25])=[O:15]

Derived Operators

EVODEX.1-F142 - Elemental Balance

C-4
H-8

EVODEX.1-M248 - Mass Difference

-56.06264

EVODEX.1-E798 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#6](-[#8:5]-[#6@:6])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:5](-[#6@:6])-[H]

EVODEX.1-C495 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:5]>>[H]-[#8:5]

EVODEX.1-N608 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:5]-[#6:6]>>[H]-[#8:5]-[#6:6]

EVODEX.1-Em67 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm81 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4927

Full Reaction Rendering

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