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EVODEX.1-P4105

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26])[H:27])([H:28])[H:29]>>[H]O[C:2](=[C:1]([H:28])[H:29])[H:27].[H][O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E354 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:27]>>[#6:1]=[#6:2](-[#8]-[H])-[H:27].[#8:3](-[#6:4])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#8:4]>>[H]-[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-N622 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]=[#6:2](-[#8:3]-[#6:4])-[H:27]>>[H]-[#8]-[#6:2](=[#6:1])-[H:27].[H]-[#8:3]-[#6:4]

EVODEX.1-Em592 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4]>>[H]-[#8]-[#6:2]=[#6:1].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm531 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]=[#6:2]-[#8:3]-[#6:4]>>[H]-[#8]-[#6:2]=[#6:1].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4944

Full Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26])[H:27])([H:28])[H:29].[H][O:17][H:30]>>[C:1](=[C:2]([O:17][H:30])[H:27])([H:28])[H:29].[H][O:3][C:4](=[O:5])[C:6](=[C:7]([C:8]1:[C:9]([H:18]):[C:10]([H:19]):[C:11]([O:12][H:20]):[C:13]([O:14][C:15]([H:21])([H:22])[H:23]):[C:16]:1[H:24])[H:25])[H:26]