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EVODEX.1-P3097

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([N:7]([H:20])[H:21])[C:8](=[O:9])[O:10][H:22]>>O=[C:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])[C:8](=[O:9])[O:10][H:22].[H]OC(=O)C([H])([H])C([H])([H])C(=O)C([H])([H])[N:7]([H:20])[H:21]

Derived Operators

EVODEX.1-F240 - Elemental Balance

O4
C5
H6

EVODEX.1-M297 - Mass Difference

130.02658

EVODEX.1-E964 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6@@:2](-[#6:3])(-[#6:10]=[#8:11])-[H])(-[H:31])-[H:32]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8].[#7:1](-[#6](-[#6](=[#8])-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H:31])-[H:32]

EVODEX.1-C462 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N562 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@:2](-[#7:1](-[H:31])-[H:32])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7:1](-[H:31])-[H:32]

EVODEX.1-Em553 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]=[#8:11]>>[#8]=[#6:2](-[#6:3])-[#6:10]=[#8:11].[#6]-[#6](-[H])(-[H])-[#7:1]

EVODEX.1-Cm20 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:39]-[#7:40]>>[#8]=[#6:39].[#6]-[#7:40]

EVODEX.1-Nm499 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:10]>>[#8]=[#6:2](-[#6:3])-[#6:10].[#6]-[#6](-[H])(-[H])-[#7:1]

Source Full Reactions

EVODEX.1-R3761

Full Reaction Rendering

[H][C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([N:7]([H:20])[H:21])[C:8](=[O:9])[O:10][H:22].[O:11]=[C:12]([C:13](=[O:14])[C:15]([C:16]([C:17](=[O:18])[O:19][H:34])([H:35])[H:36])([H:37])[H:38])[H:39]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:22])=[O:11])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33].[H][C:12]([N:7]([H:20])[H:21])([C:13](=[O:14])[C:15]([C:16]([C:17](=[O:18])[O:19][H:34])([H:35])[H:36])([H:37])[H:38])[H:39]