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EVODEX.1-P6602

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:7]1([H:23])[C:6]([C:5]2:[C:4]([H:21]):[C:3]([H:20]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:19]([H:30]):[C:18]:2[H:29])([H:22])[O:17][C:16]2:[C:10](:[C:11]([H:25]):[C:12]([H:26]):[C:13]([O:14][H:27]):[C:15]:2[H:28])[C:8]1=[O:9]>>[H][O:17][C:16]1:[C:10]([C:8]([C:7](=[C:6]([C:5]2:[C:4]([H:21]):[C:3]([H:20]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:19]([H:30]):[C:18]:2[H:29])[H:22])[H:23])=[O:9]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([O:14][H:27]):[C:15]:1[H:28]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E232 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@:6](-[H:24])(-[#6:7](-[H:25])(-[H])-[#6:8]=[#8:9])-[#8:18]-[#6:17]>>([#6:5]-[#6:6](=[#6:7](-[#6:8]=[#8:9])-[H:25])-[H:24].[#6:17]-[#8:18]-[H])

EVODEX.1-C762 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:3]-[#6@@:4]-[#8:11]>>([H]-[#8:11].[#6:3]=[#6:4])

EVODEX.1-N973 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](-[H:19])(-[#6:2])-[#6@:4](-[#8:11]-[#6:12])(-[#6:5])-[H:26]>>([H]-[#8:11]-[#6:12].[#6:2]-[#6:3](=[#6:4](-[#6:5])-[H:26])-[H:19])

EVODEX.1-Em790 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])-[#6:4](-[#8:11]-[#6:12])-[#6:5]>>([H]-[#8:11]-[#6:12].[#6:2](=[#8:1])-[#6:3]=[#6:4]-[#6:5])

EVODEX.1-Cm314 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:3]-[#6:4]-[#8:11]>>([H]-[#8:11].[#6:3]=[#6:4])

EVODEX.1-Nm711 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])-[#6:4](-[#8:11]-[#6:12])-[#6:5]>>([H]-[#8:11]-[#6:12].[#6:2]-[#6:3]=[#6:4]-[#6:5])

Source Full Reactions

EVODEX.1-R7183

Full Reaction Rendering

[H][C:7]1([H:23])[C:6]([C:5]2:[C:4]([H:21]):[C:3]([H:20]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:19]([H:30]):[C:18]:2[H:29])([H:22])[O:17][C:16]2:[C:10](:[C:11]([H:25]):[C:12]([H:26]):[C:13]([O:14][H:27]):[C:15]:2[H:28])[C:8]1=[O:9]>>[H][O:17][C:16]1:[C:10]([C:8]([C:7](=[C:6]([C:5]2:[C:4]([H:21]):[C:3]([H:20]):[C:2]([C:1]([H:31])([H:32])[H:33]):[C:19]([H:30]):[C:18]:2[H:29])[H:22])[H:23])=[O:9]):[C:11]([H:25]):[C:12]([H:26]):[C:13]([O:14][H:27]):[C:15]:1[H:28]