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EVODEX.1-P1399

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])=[O:5].[O:7]=[C:8]([C:9]1:[C:10]([H:25]):[C:11]([H:26]):[C:12]([C:13]2:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:2[H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]>>[C:4](=[O:5])=[O:6].[H][O:7][C:8]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])([C:9]1:[C:10]([H:25]):[C:11]([H:26]):[C:12]([C:13]2:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:2[H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E271 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#6:5](=[#8:6])-[#8:7]-[H].[#6:14]-[#6:15](=[#8:16])-[H:27]>>[#6:5](=[#8:6])=[#8:7].[#6:2]-[#6:3](=[#8:4])-[#6:15](-[#6:14])(-[#8:16]-[H])-[H:27]

EVODEX.1-C265 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:6]-[#6:4]-[#6:2].[#8:7]=[#6:8]>>[#6:4]=[#8:6].[H]-[#8:7]-[#6:8]-[#6:2]

EVODEX.1-N292 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#8:7]=[#6:8](-[#6:9])-[H:34]>>[#6:4](=[#8:5])=[#8:6].[H]-[#8:7]-[#6:8](-[#6:2](-[#6:1])=[#8:3])(-[#6:9])-[H:34]

EVODEX.1-Em416 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#8:7]=[#6:8]-[#6:9]>>[#6:4](=[#8:5])=[#8:6].[H]-[#8:7]-[#6:8](-[#6:2](-[#6:1])=[#8:3])-[#6:9]

EVODEX.1-Cm232 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:6]-[#6:4]-[#6:2].[#8:7]=[#6:8]>>[#6:4]=[#8:6].[H]-[#8:7]-[#6:8]-[#6:2]

EVODEX.1-Nm376 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:6]-[#6:4](-[#6:2](-[#6:1])=[#8:3])=[#8:5].[#8:7]=[#6:8]-[#6:9]>>[#6:4](=[#8:5])=[#8:6].[H]-[#8:7]-[#6:8](-[#6:2](-[#6:1])=[#8:3])-[#6:9]

Source Full Reactions

EVODEX.1-R1911

Full Reaction Rendering

[H][O:6][C:4]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])=[O:5].[O:7]=[C:8]([C:9]1:[C:10]([H:25]):[C:11]([H:26]):[C:12]([C:13]2:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:2[H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]>>[C:4](=[O:5])=[O:6].[H][O:7][C:8]([C:2]([C:1]([H:22])([H:23])[H:24])=[O:3])([C:9]1:[C:10]([H:25]):[C:11]([H:26]):[C:12]([C:13]2:[C:14]([H:27]):[C:15]([H:28]):[C:16]([H:29]):[C:17]([H:30]):[C:18]:2[H:31]):[C:19]([H:32]):[C:20]:1[H:33])[H:34]