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EVODEX.1-P980

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

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-Em338 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8:17].[H]-[#7:1]

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-R957

Full Reaction Rendering

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