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EVODEX.1-P6016

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:19][P:20](=[O:21])([O:22][H:37])[C:23]([P:24](=[O:25])([O:26][H:38])[O:27][H:39])([H:40])[H:41]>>[H][O:19][P:20](=[O:21])([O:22][H:37])[C:23]([P:24](=[O:25])([O:26][H:38])[O:27][H:39])([H:40])[H:41]

Derived Operators

EVODEX.1-F123 - Elemental Balance

P-1
O-6
C-10
N-5
H-12

EVODEX.1-M64 - Mass Difference

-329.05266

EVODEX.1-E749 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:50]-[#15:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:50](-[#15:51])-[H]

EVODEX.1-C93 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:50]>>[H]-[#8:50]

EVODEX.1-N146 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

EVODEX.1-Em35 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

EVODEX.1-Cm44 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm37 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

Source Full Reactions

EVODEX.1-R6654

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:33]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:34]):[N:10]:2[C@:11]1([H:35])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:36])[O:19][P:20](=[O:21])([O:22][H:37])[C:23]([P:24](=[O:25])([O:26][H:38])[O:27][H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[C@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50].[H][O:32][H:51]>>[N:1]([C:2]1:[N:3]:[C:4]([H:33]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:34]):[N:10]:2[C@:11]1([H:35])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:36])[O:32][H:51])([H:42])[H:43])([H:44])[C@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50].[H][O:19][P:20](=[O:21])([O:22][H:37])[C:23]([P:24](=[O:25])([O:26][H:38])[O:27][H:39])([H:40])[H:41]