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EVODEX.1-P5562

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C:8](=[O:9])[C:10]1([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]1([H:29])[H:30]>>[H]O[C:8](=[O:9])[C:10]1([H:20])[C:11]([H:21])([H:22])[C:12]([H:23])([H:24])[C:13]([H:25])([H:26])[C:14]([H:27])([H:28])[C:15]1([H:29])[H:30]

Derived Operators

EVODEX.1-F267 - Elemental Balance

O-1
C-6
N-2
H-12

EVODEX.1-M84 - Mass Difference

-128.09506000000002

EVODEX.1-E1010 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8]-[H]

EVODEX.1-C690 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N851 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]

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-R6298

Full Reaction Rendering

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