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EVODEX.1-P6063

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C([H])([H])C(=O)[C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]>>[H][C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]

Derived Operators

EVODEX.1-F98 - Elemental Balance

C-2
O-1
H-2

EVODEX.1-M186 - Mass Difference

-42.01056

EVODEX.1-E475 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#6:4](-[#6:5])(-[H:19])-[H:20])(-[H])(-[H])-[H]>>[#6:4](-[#6:5])(-[H:19])(-[H:20])-[H]

EVODEX.1-C365 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N418 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6:4](-[#6:5])(-[H:19])-[H:20]>>[H]-[#6:4](-[#6:5])(-[H:19])-[H:20]

EVODEX.1-Em464 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm417 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6687

Full Reaction Rendering

[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20])([H:21])([H:22])[H:23].[H][O:13][H:24]>>[C:1]([C:2](=[O:3])[O:13][H:24])([H:21])([H:22])[H:23].[H][C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:14]):[C:9]([H:15]):[C:10]([H:16]):[C:11]([H:17]):[C:12]:1[H:18])([H:19])[H:20]