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EVODEX.1-P6377

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[C:8]([C:7]1:[C:2]([C:1]([H:28])([H:29])[H:30]):[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]:1[H:20])([H:26])[H:27]>>[H][C:8]([C:7]1:[C:2]([C:1]([H:28])([H:29])[H:30]):[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]:1[H:20])([H:26])[H:27]

Derived Operators

EVODEX.1-F154 - Elemental Balance

C-4
O-4
H-4

EVODEX.1-M254 - Mass Difference

-116.01092

EVODEX.1-E817 - Reaction Operator E

Reaction Operator E SMIRKS

[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6:6](-[#6:7])(-[H:22])-[H:23])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#6:6](-[#6:7])(-[H:22])(-[H:23])-[H]

EVODEX.1-C741 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N947 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#6:6](-[#6:7])(-[H:22])-[H:23]>>[H]-[#6:6](-[#6:7])(-[H:22])-[H:23]

EVODEX.1-Em756 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#6])-[#6:6]-[#6:7]>>[H]-[#6:6]-[#6:7]

EVODEX.1-Cm30 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm684 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#6])-[#6:6]-[#6:7]>>[H]-[#6:6]-[#6:7]

Source Full Reactions

EVODEX.1-R6973

Full Reaction Rendering

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