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EVODEX.1-P323

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4](=[O:5])[O:6][H:19])[H:20].[H][O:16][C:14]([C:12]([C:11]([C:10]([C:8](=[O:7])[O:9][H:27])([H:31])[H:32])([H:29])[H:30])=[O:13])=[O:15]>>[C:14](=[O:15])=[O:16].[H]O[C:3]([C:2]([C:1]([H:24])([H:25])[H:26])([H:22])[H:23])([C:4](=[O:5])[O:6][H:19])[H:20].[H]O[C:12]([C:11]([C:10]([C:8](=[O:7])[O:9][H:27])([H:31])[H:32])([H:29])[H:30])=[O:13]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E608 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6:9](=[#8:10])-[#8:11]-[H]>>[#6:9](=[#8:10])=[#8:11].[#6:13]-[#6@:14](-[#8]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#8]-[H]

EVODEX.1-C54 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[H]-[#8:21]-[#6:19]-[#6:17]>>[#6:19]=[#8:21].[H]-[#8]-[#6:1].[H]-[#8]-[#6:17]

EVODEX.1-N153 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:50](-[#6@:49])(-[#6:51])-[H:123].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6@@:50](-[#6@:49])(-[#6:51])-[H:123].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]

EVODEX.1-Em235 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:50](-[#6:49])-[#6:51].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6:50](-[#6:49])-[#6:51].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]

EVODEX.1-Cm53 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6]-[#6:19]-[#8:21]-[H]>>[#6:19]=[#8:21].[#8]-[#6:1]

EVODEX.1-Nm233 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:50](-[#6:49])-[#6:51].[H]-[#8:69]-[#6:67](-[#6:65](-[#6:64])=[#8:66])=[#8:68]>>[#6:67](=[#8:68])=[#8:69].[H]-[#8]-[#6:50](-[#6:49])-[#6:51].[H]-[#8]-[#6:65](-[#6:64])=[#8:66]

Source Full Reactions

EVODEX.1-R353

Full Reaction Rendering

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