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EVODEX.1-P6367

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E267 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]-[#6:4](-[#6:5](-[#6:6](-[#6:7])(-[H:22])-[H:23])(-[#6:14]=[#8:15])-[H:25])(-[H:26])-[H]>>[#6:6](-[#6:7])(-[H:22])(-[H:23])-[H].[#8:1]=[#6:2]-[#6:4](=[#6:5](-[#6:14]=[#8:15])-[H:25])-[H:26]

EVODEX.1-C739 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:4]-[#6:5]-[#6:6]>>[H]-[#6:6].[#6:4]=[#6:5]

EVODEX.1-N945 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:4](-[#6:2])(-[#6:5](-[#6:6](-[#6:7])(-[H:22])-[H:23])(-[#6:14])-[H:25])-[H:26]>>[H]-[#6:6](-[#6:7])(-[H:22])-[H:23].[#6:2]-[#6:4](=[#6:5](-[#6:14])-[H:25])-[H:26]

EVODEX.1-Em754 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4](-[#6:2]=[#8:1])-[#6:5](-[#6:6]-[#6:7])-[#6:14]=[#8:15]>>[H]-[#6:6]-[#6:7].[#8:1]=[#6:2]-[#6:4]=[#6:5]-[#6:14]=[#8:15]

EVODEX.1-Cm294 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:4]-[#6:5]-[#6:6]>>[H]-[#6:6].[#6:4]=[#6:5]

EVODEX.1-Nm682 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4](-[#6:2])-[#6:5](-[#6:6]-[#6:7])-[#6:14]>>[H]-[#6:6]-[#6:7].[#6:2]-[#6:4]=[#6:5]-[#6:14]

Source Full Reactions

EVODEX.1-R6966

Full Reaction Rendering

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