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EVODEX.1-P2967

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2]([N:1]([H:36])[H:37])=[O:3])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([N:9]([H:25])[H:26])[C:10](=[O:11])[O:12][H:27]>>O=[C:8]([C:7]([C:6]([C:5]([N:4]([C:2]([N:1]([H:36])[H:37])=[O:3])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])[C:10](=[O:11])[O:12][H:27].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:9]([H:25])[H:26]

Derived Operators

EVODEX.1-F107 - Elemental Balance

O3
C9
H8

EVODEX.1-M237 - Mass Difference

164.04734

EVODEX.1-E692 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:6](-[#7:7](-[H:24])-[H:25])(-[#6:8]=[#8:9])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8].[#7:7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H:24])-[H:25]

EVODEX.1-C427 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]-[#7:6]>>[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6]

EVODEX.1-N509 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:2])(-[#7:6](-[H:26])-[H:27])-[#6:7]>>[#8]=[#6:5](-[#6:2])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6](-[H:26])-[H:27]

EVODEX.1-Em17 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#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-Nm13 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]

Source Full Reactions

EVODEX.1-R3636

Full Reaction Rendering

[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2]([N:1]([H:36])[H:37])=[O:3])[H:35])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([N:9]([H:25])[H:26])[C:10](=[O:11])[O:12][H:27].[O:13]=[C:14]([O:15][H:38])[C:16](=[O:17])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[H:43])([H:44])[H:45]>>[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:27])=[O:17])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])[H:35])([H:36])[H:37].[H][C@@:16]([N:9]([H:25])[H:26])([C:14](=[O:13])[O:15][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[H:43])([H:44])[H:45]