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EVODEX.1-P4684

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])[H:33])[H:34])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])[H:33])[H:34]

Derived Operators

EVODEX.1-F252 - Elemental Balance

O-1
C-6
N-1
H-11

EVODEX.1-M83 - Mass Difference

-113.08413

EVODEX.1-E970 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C555 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N708 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em3 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm3 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]

Source Full Reactions

EVODEX.1-R5503

Full Reaction Rendering

[C:1]([C:2]([C@:3]([C:4]([H:22])([H:23])[H:24])([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])[H:33])[H:34])[H:35])([C:18](=[O:19])[O:20][H:36])[H:37])[H:38])([H:39])[H:40])([H:41])([H:42])[H:43].[H][O:21][H:44]>>[C:7](=[O:8])([C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:32])[H:33])[H:34])[O:21][H:44].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])([C:4]([H:22])([H:23])[H:24])[H:38])([C:18](=[O:19])[O:20][H:36])[H:37])[H:35]