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EVODEX.1-P3137

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C@@:2]([H])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[C:9](=[O:10])[O:11][H:31].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:16]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:9](=[O:10])[O:11][H:31])=[O:16]

Derived Operators

EVODEX.1-F195 - Elemental Balance

O-2
C-9
N-1
H-11

EVODEX.1-M176 - Mass Difference

-165.07903

EVODEX.1-E895 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C874 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7](-[H])-[#6@@:7]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:7]=[#8:16]

EVODEX.1-N1101 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6@@:7](-[H])(-[#6:6])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:6]-[#6:7](-[#6:9])=[#8:16]

EVODEX.1-Em14 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]

EVODEX.1-Cm16 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:39]-[H].[#6]=[#8:47]>>[#6:39]=[#8:47]

EVODEX.1-Nm12 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]

Source Full Reactions

EVODEX.1-R3791

Full Reaction Rendering

[H][C@:2]([N:1]([H:33])[H:34])([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[C:9](=[O:10])[O:11][H:31].[O:12]=[C:13]([O:14][H:35])[C:15](=[O:16])[C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42]>>[C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([C:9](=[O:10])[O:11][H:31])=[O:16].[H][C@@:15]([N:1]([H:33])[H:34])([C:13](=[O:12])[O:14][H:35])[C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42]