EVODEX Logo

EVODEX.1-P6384

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([F:12]):[C:13]:1[H:21])([H:22])[H:23]>>[H][C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([F:12]):[C:13]:1[H:21])([H:22])[H:23]

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-R6978

Full Reaction Rendering

[H][C:4]([C:2](=[O:1])[O:3][H:17])([C:5]([C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([F:12]):[C:13]:1[H:21])([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])[H:26]>>[H][C:6]([C:7]1:[C:8]([H:18]):[C:9]([H:19]):[C:10]([H:20]):[C:11]([F:12]):[C:13]:1[H:21])([H:22])[H:23].[O:1]=[C:2]([O:3][H:17])[C:4](=[C:5]([C:14](=[O:15])[O:16][H:24])[H:25])[H:26]