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EVODEX.1-P6375

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]:1[C:8]([H:21])([H:22])[H:23])([H:24])[H:25]>>[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[C:1]([C:2]1:[C:3]([H:17]):[C:4]([H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]:1[C:8]([H:21])([H:22])[H:23])([H:24])[H:25]

Derived Operators

EVODEX.1-F156 - Elemental Balance

C4
O4
H4

EVODEX.1-M188 - Mass Difference

116.01092

EVODEX.1-E820 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:21])(-[H:22])-[H]>>[#6:1](-[#6:2])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:21])-[H:22]

EVODEX.1-C740 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#6:1]

EVODEX.1-N946 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:21])-[H:22]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#6:1](-[#6:2])(-[H:21])-[H:22]

EVODEX.1-Em755 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2]>>[#6]-[#6](-[H])(-[#6])-[#6:1]-[#6:2]

EVODEX.1-Cm51 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm683 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2]>>[#6]-[#6](-[H])(-[#6])-[#6:1]-[#6:2]

Source Full Reactions

EVODEX.1-R6972

Full Reaction Rendering

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