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EVODEX.1-P428

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1([O:3][H:24])[C:4](=[O:5])[N:6]([H:25])[C:7](=[O:8])[N:9]([H:26])[C:10]1=[O:11])([H:27])[H:28].[H][O:21][C:19]([C:17]([C:16]([C:15]([C:13](=[O:12])[O:14][H:30])([H:34])[H:35])([H:32])[H:33])=[O:18])=[O:20]>>[C:19](=[O:20])=[O:21].[H]O[C:1]([C:2]1([O:3][H:24])[C:4](=[O:5])[N:6]([H:25])[C:7](=[O:8])[N:9]([H:26])[C:10]1=[O:11])([H:27])[H:28].[H]O[C:17]([C:16]([C:15]([C:13](=[O:12])[O:14][H:30])([H:34])[H:35])([H:32])[H:33])=[O:18]

Derived Operators

EVODEX.1-F64 - Elemental Balance

O2

EVODEX.1-M19 - Mass Difference

31.9898

EVODEX.1-E607 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#6:14]-[#6:15](=[#8:16])-[#6:17](=[#8:18])-[#8:19]-[H]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8]-[H])(-[H:22])-[H:23].[#6:14]-[#6:15](=[#8:16])-[#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-N171 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8]-[#6:17](-[#6:16])=[#8:18]

EVODEX.1-Em253 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2].[H]-[#8]-[#6:17](-[#6:16])=[#8:18]

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-Nm251 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8]-[#6:1]-[#6:2].[H]-[#8]-[#6:17](-[#6:16])=[#8:18]

Source Full Reactions

EVODEX.1-R410

Full Reaction Rendering

[H][C:1]([C:2]1([O:3][H:24])[C:4](=[O:5])[N:6]([H:25])[C:7](=[O:8])[N:9]([H:26])[C:10]1=[O:11])([H:27])[H:28].[H][O:21][C:19]([C:17]([C:16]([C:15]([C:13](=[O:12])[O:14][H:30])([H:34])[H:35])([H:32])[H:33])=[O:18])=[O:20].[O:22]=[O:23]>>[C:19](=[O:20])=[O:21].[H][O:22][C:1]([C:2]1([O:3][H:24])[C:4](=[O:5])[N:6]([H:25])[C:7](=[O:8])[N:9]([H:26])[C:10]1=[O:11])([H:27])[H:28].[H][O:23][C:17]([C:16]([C:15]([C:13](=[O:12])[O:14][H:30])([H:34])[H:35])([H:32])[H:33])=[O:18]