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EVODEX.1-P4188

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OP(=O)(O[H])O[C@@:9]1([H:29])[C:8]([H:25])([H:26])[C@@:7]([N:6]2:[C:5]([H:23]):[C:4]([H:22]):[C:3](=[O:2]):[N:21]([H:34]):[C:19]:2=[O:20])([H:24])[O:18][C@@:15]1([C:16]([O:17][H:30])([H:31])[H:32])[H:33]>>[H]O[C@@:9]1([H:29])[C:8]([H:25])([H:26])[C@@:7]([N:6]2:[C:5]([H:23]):[C:4]([H:22]):[C:3](=[O:2]):[N:21]([H:34]):[C:19]:2=[O:20])([H:24])[O:18][C@@:15]1([C:16]([O:17][H:30])([H:31])[H:32])[H:33]

Derived Operators

EVODEX.1-F114 - Elemental Balance

P-1
O-3
H-1

EVODEX.1-M33 - Mass Difference

-79.96633

EVODEX.1-E730 - Reaction Operator E

Reaction Operator E SMIRKS

[#8](-[#6@@:12]-[#6@@:18](-[#6@@:8])(-[#8:19])-[H:29])-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#8](-[#6@@:12]-[#6@@:18](-[#6@@:8])(-[#8:19])-[H:29])-[H]

EVODEX.1-C46 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]

EVODEX.1-N101 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#8]

Source Full Reactions

EVODEX.1-R5030

Full Reaction Rendering

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