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EVODEX.1-P6518

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:13][C:12]([N:11]([C:2](=[O:1])[C:3]([C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])([H:22])[H:23])([H:24])[H:25])[H:29])([C:14](=[O:15])[O:16][H:27])[H:28]>>[C:12](=[O:13])([C:14](=[O:15])[O:16][H:27])[H:28].[H][N:11]([C:2](=[O:1])[C:3]([C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])([H:22])[H:23])([H:24])[H:25])[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E195 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6:6](-[#8:7]-[H])(-[#6:8]=[#8:9])-[H:19])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H].[#6:6](=[#8:7])(-[#6:8]=[#8:9])-[H:19]

EVODEX.1-C755 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N962 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:7]-[#6:6](-[#7:5](-[#6:4])-[H:20])(-[#6:8])-[H:19]>>[H]-[#7:5](-[#6:4])-[H:20].[#6:6](=[#8:7])(-[#6:8])-[H:19]

EVODEX.1-Em780 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm307 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm701 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7098

Full Reaction Rendering

[H][O:13][C:12]([N:11]([C:2](=[O:1])[C:3]([C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])([H:22])[H:23])([H:24])[H:25])[H:29])([C:14](=[O:15])[O:16][H:27])[H:28]>>[C:12](=[O:13])([C:14](=[O:15])[O:16][H:27])[H:28].[H][N:11]([C:2](=[O:1])[C:3]([C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])([H:22])[H:23])([H:24])[H:25])[H:29]