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EVODEX.1-P597

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F11 - Elemental Balance

O1
H-2

EVODEX.1-M29 - Mass Difference

13.97924

EVODEX.1-E429 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H]>>[#7:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30]

EVODEX.1-C222 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[H]-[#8]-[#6:4]

EVODEX.1-N200 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])(-[#7:5])-[H:43]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])(-[#7:5])-[H:43]

EVODEX.1-Em282 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:24]-[#6:23]=[#6:25](-[#8:26]-[H])-[#6:16]=[#8:15].[H]-[#6:4](-[#6:2])-[#7:5]>>[#8:15]=[#6:16]-[#6:25](-[#6:23]=[#8:24])=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]

EVODEX.1-Cm200 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[#8]-[#6:4]

EVODEX.1-Nm280 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])-[#7:5]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]

Source Full Reactions

EVODEX.1-R562

Full Reaction Rendering

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