EVODEX Logo

EVODEX.1-P6046

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27])([H:28])[H:29].[H][O:17][H:30]>>[H][C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27].[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[O:17][H:30])([H:28])[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E160 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](-[#6:5](=[#8:6])-[#6:7])(-[H:21])-[H:22].[#8:1](-[H:24])-[H]>>[#6:3]-[#6:4](-[H:21])(-[H:22])-[H].[#8:1](-[#6:5](=[#8:6])-[#6:7])-[H:24]

EVODEX.1-C39 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-N893 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](=[#8:10])-[#6:11](-[#6@:12])(-[H:25])-[H:26].[H]-[#8:17]-[H:29]>>[H]-[#6:11](-[#6@:12])(-[H:25])-[H:26].[#6:8]-[#6:9](=[#8:10])-[#8:17]-[H:29]

EVODEX.1-Em703 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9](=[#8:10])-[#6:11]-[#6:12].[H]-[#8:17]>>[H]-[#6:11]-[#6:12].[#6:8]-[#6:9](=[#8:10])-[#8:17]

EVODEX.1-Cm82 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:9]-[#6:10].[H]-[#8:1]>>[H]-[#6:9].[#8:1]-[#6:10]

EVODEX.1-Nm632 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9](=[#8:10])-[#6:11]-[#6:12].[H]-[#8:17]>>[H]-[#6:11]-[#6:12].[#6:8]-[#6:9](=[#8:10])-[#8:17]

Source Full Reactions

EVODEX.1-R6675

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27])([H:28])[H:29].[H][O:17][H:30]>>[H][C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27].[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[O:17][H:30])([H:28])[H:29]