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EVODEX.1-P6224

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E100 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6@:8](-[#8:9]-[H])(-[#6:10]#[#7:11])-[H:13]>>[#6:7]-[#6:8](=[#8:9])-[H:13].[#6:10](#[#7:11])-[H]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N925 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:4]-[#6@:3](-[#6:2]#[#7:1])(-[#6:5])-[H:18]>>[#6:3](=[#8:4])(-[#6:5])-[H:18].[H]-[#6:2]#[#7:1]

EVODEX.1-Em734 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm663 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6830

Full Reaction Rendering

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