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EVODEX.1-P5282

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22].[O:8]=[C:9]([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]:1[N+:16](=[O:17])[O-:18])[H:33]>>[H][O:8][C@:9]([C@@:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22])([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]:1[N+:16](=[O:17])[O-:18])[H:33]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E194 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[H:11].[#6:4]-[#6:5](-[#6:6])(-[H:16])-[H]>>[#6:1]-[#6:2](-[#8:3]-[H])(-[#6:5](-[#6:4])(-[#6:6])-[H:16])-[H:11]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N816 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[H:11].[H]-[#6:5](-[#6:4])(-[#6:6])-[H:16]>>[H]-[#8:3]-[#6:2](-[#6:1])(-[#6:5](-[#6:4])(-[#6:6])-[H:16])-[H:11]

EVODEX.1-Em657 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm590 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6042

Full Reaction Rendering

[H][C:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22].[O:8]=[C:9]([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]:1[N+:16](=[O:17])[O-:18])[H:33]>>[H][O:8][C@:9]([C@@:3]1([H:19])[C:2](=[O:1])[C:7]([H:27])([H:28])[C:6]([H:25])([H:26])[C:5]([H:23])([H:24])[C:4]1([H:21])[H:22])([C:10]1:[C:11]([H:29]):[C:12]([H:30]):[C:13]([H:31]):[C:14]([H:32]):[C:15]:1[N+:16](=[O:17])[O-:18])[H:33]