EVODEX Logo

EVODEX.1-P1047

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C29 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-N45 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1](-[H:29])-[H:30].[H]-[#8:17]-[#8:18]-[H]

EVODEX.1-Em353 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]

EVODEX.1-Cm68 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14].[H]-[#8:12]-[H]>>[#6:1]=[#8:12].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-Nm118 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9].[#8:17]=[#8:18].[H]-[#8:16]-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:16].[H]-[#7:1].[H]-[#8:17]-[#8:18]-[H]

Source Full Reactions

EVODEX.1-R1005

Full Reaction Rendering

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