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EVODEX.1-P6302

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E395 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:33])-[H:34]>>[#8]=[#6:8](-[#6:9])-[H:33].[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7](-[H:34])(-[H])-[H]

EVODEX.1-C733 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]=[#6:8]>>[#8]=[#6:8].[H]-[#6:7]-[H]

EVODEX.1-N939 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:7](=[#6:8](-[#6:9])-[H:26])-[H:27]>>[#8]=[#6:8](-[#6:9])-[H:26].[H]-[#6:7](-[H])(-[#6:5])-[H:27]

EVODEX.1-Em747 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-[#6:9]>>[#8]=[#6:8]-[#6:9].[H]-[#6:7](-[H])-[#6:5](-[#6:3]=[#8:2])=[#8:6]

EVODEX.1-Cm288 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]=[#6:8]>>[#8]=[#6:8].[H]-[#6:7]-[H]

EVODEX.1-Nm676 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:7]=[#6:8]-[#6:9]>>[#8]=[#6:8]-[#6:9].[H]-[#6:7](-[H])-[#6:5]

Source Full Reactions

EVODEX.1-R6905

Full Reaction Rendering

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