EVODEX Logo

EVODEX.1-P950

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E50 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C19 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N38 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:2](-[#7:1](-[H:36])-[H:37])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1](-[H:36])-[H:37]

EVODEX.1-Em331 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#6:7])-[#7:8].[H]-[#8:9]-[H]>>[#6:5]-[#6:6](-[#6:7])=[#8:9].[H]-[#7:8]

EVODEX.1-Cm56 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm110 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R930

Full Reaction Rendering

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