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EVODEX.1-P121

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F11 - Elemental Balance

O1
H-2

EVODEX.1-M29 - Mass Difference

13.97924

EVODEX.1-E426 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:90]-[#6:91](-[#6@@:92])(-[H])-[H]>>[#8]=[#6:91](-[#8:90])-[#6@@:92]

EVODEX.1-C193 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:16]-[H]>>[#8]=[#6:16]

EVODEX.1-N107 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:16](-[H])(-[#6@:15])-[#8:17]>>[#8]=[#6:16](-[#6@:15])-[#8:17]

EVODEX.1-Em168 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm175 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:16]-[H]>>[#8]=[#6:16]

EVODEX.1-Nm183 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R160

Full Reaction Rendering

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