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EVODEX.1-P1001

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R973

Full Reaction Rendering

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