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EVODEX.1-P6226

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E101 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9]-[#6:10](=[#8:11])-[H:12].[#6:1](#[#7:2])-[H]>>[#6:1](#[#7:2])-[#6@:10](-[#6:9])(-[#8:11]-[H])-[H:12]

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-N921 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1]#[#7:2].[#8:3]=[#6:4](-[#6:5])-[H:14]>>[H]-[#8:3]-[#6:4](-[#6:1]#[#7:2])(-[#6:5])-[H:14]

EVODEX.1-Em730 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-Nm659 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6832

Full Reaction Rendering

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