EVODEX Logo

EVODEX.1-P960

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E218 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H:29])-[H:30].[#8:16]=[#8:17].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15].[#7:1](-[H:29])(-[H:30])-[H].[#8:16](-[#8:17]-[H])-[H]

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-Em359 - Reaction Operator Em

Reaction Operator Em 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]

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-R938

Full Reaction Rendering

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