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EVODEX.1-P5814

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])[H:24]>>[H]C([H])([H])C(=O)[N:5]([C:6]([C:7]1:[C:8]([H:17]):[C:9]([H:18]):[C:10]([H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])[H:24]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E555 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5](-[#6:6])(-[H:24])-[H]>>[#6](-[#6](=[#8])-[#7:5](-[#6:6])-[H:24])(-[H])(-[H])-[H]

EVODEX.1-C63 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N50 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:5](-[#6:6])-[H:24]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[H:24]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6506

Full Reaction Rendering

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