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EVODEX.1-P4223

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E361 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23]>>[#6:6]-[#6@@:7](-[#8]-[H])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[H]

EVODEX.1-C1113 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:16]-[#6@@:15](-[#6@@:8])-[#6@:21]>>[H]-[#8]-[#6@:15](-[#6@:8])-[#6@@:21].[H]-[#8:16]

EVODEX.1-N1370 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7]1-[#6@:6]-[#6@@:21](-[#6@@:15](-[#6@:8]-1(-[#6:9])-[H:34])(-[#8:16]-[#15:17])-[H:37])(-[#8:22])-[H:39]>>[H]-[#8]-[#6@:15]1(-[H:37])-[#6@:8](-[#6:9])(-[H:34])-[#8:7]-[#6@:6]-[#6@@:21]-1(-[#8:22])-[H:39].[H]-[#8:16]-[#15:17]

EVODEX.1-Em619 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm554 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]

Source Full Reactions

EVODEX.1-R5072

Full Reaction Rendering

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