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EVODEX.1-P5962

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-N1843 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6@@:9](-[#8:10])(-[H:35])-[#6@:11]-[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:16]-[#15:17]>>[H]-[#8]-[#15:13](-[#8:12]-[#6@:11]-[#6@:9](-[#8:10])(-[H:35])-[#6:8])(=[#8:14])-[#8:15].[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-R6607

Full Reaction Rendering

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