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EVODEX.1-P4059

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E345 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C23 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N645 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1](-[#6:2](=[#8:3])-[#6:4])(-[H:9])-[H:10]>>[H]-[#8]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:1](-[H:9])-[H:10]

EVODEX.1-Em609 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm544 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R4902

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C@:4]([N:5]([H:14])[H:15])([C:6]([C:7]1:[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]:1[H:20])([H:21])[H:22])[H:23])([H:24])[H:25].[H][O:13][H:26]>>[C:2](=[O:3])([C@:4]([N:5]([H:14])[H:15])([C:6]([C:7]1:[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]:1[H:20])([H:21])[H:22])[H:23])[O:13][H:26].[H][N:1]([H:24])[H:25]