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EVODEX.1-P4131

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C([H])([H])C([H])([H])[O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]>>[H][O:15][C:13]([C:12]1:[C:7]([C:5]([O:4][C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])=[O:6]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[H:23])=[O:14]

Derived Operators

EVODEX.1-F188 - Elemental Balance

C-3
H-6

EVODEX.1-M272 - Mass Difference

-42.04698

EVODEX.1-E884 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#6](-[#8:4]-[#6:5])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:4](-[#6:5])-[H]

EVODEX.1-C501 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N618 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8:4]-[#6@:5]>>[H]-[#8:4]-[#6@:5]

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-R4971

Full Reaction Rendering

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