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EVODEX.1-P5959

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[N:5]([C@@:6]2([H:32])[C:7]([H:33])([H:34])[C@@:8]([O:9][H:35])([H:36])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:37])[O:16][P:17](=[O:18])([O:19][H:38])[O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40])([H:41])[H:42])([H:43])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:44])[H:45]>>[H]O[P:13]([O:12][C:11]([C@:10]1([H:43])[C@:8]([O:9][H:35])([H:36])[C:7]([H:33])([H:34])[C@@:6]([N:5]2:[C:4]([H:31]):[C:3]([H:30]):[C:2]([N:1]([H:44])[H:45]):[N:28]:[C:26]:2=[O:27])([H:32])[O:25]1)([H:41])[H:42])(=[O:14])[O:15][H:37].[H][O:16][P:17](=[O:18])([O:19][H:38])[O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E337 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#8:17]-[#15:18](=[#8:19])(-[#8:20])-[#8]-[H].[#8:21](-[#15:22])-[H]

EVODEX.1-C519 - Reaction Operator C

Reaction Operator C SMIRKS

([#15:13]-[#8:16].[#6@@:9])>>([H]-[#8]-[#15:13].[#6@:9]).[H]-[#8:16]

EVODEX.1-N1371 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:7]-[#6@@:8](-[#8:9])(-[H:36])-[#6@:10].[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17])>>([H]-[#8]-[#15:13](-[#8:12])(=[#8:14])-[#8:15].[#8:9]-[#6@@:8](-[#6@:10])(-[H:36])-[#6:7]).[H]-[#8:16]-[#15:17]

EVODEX.1-Em122 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm156 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20]>>[H]-[#8:19]-[#15:20].[H]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R6605

Full Reaction Rendering

[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[N:5]([C@@:6]2([H:32])[C:7]([H:33])([H:34])[C@@:8]([O:9][H:35])([H:36])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:37])[O:16][P:17](=[O:18])([O:19][H:38])[O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40])([H:41])[H:42])([H:43])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:44])[H:45].[H][O:29][H:46]>>[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[N:5]([C@@:6]2([H:32])[C:7]([H:33])([H:34])[C@@:8]([O:9][H:35])([H:36])[C@:10]([C:11]([O:12][P:13](=[O:14])([O:15][H:37])[O:29][H:46])([H:41])[H:42])([H:43])[O:25]2):[C:26](=[O:27]):[N:28]:1)([H:44])[H:45].[H][O:16][P:17](=[O:18])([O:19][H:38])[O:20][P:21](=[O:22])([O:23][H:39])[O:24][H:40]