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EVODEX.1-P179

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N83 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:13](-[#6@:11])(-[#8:14]-[H])-[#6@:15]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

EVODEX.1-Em190 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#6:14]1-[#6:15]=[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#6:20]-1.[H]-[#6:5](-[#6:2]=[#8:1])(-[#8:6]-[H])-[#6:7]>>[#8:1]=[#6:2]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:13]-[#6:14]1:[#6:15]:[#6:16]:[#6:17](-[#8:18]-[H]):[#6:19]:[#6:20]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R225

Full Reaction Rendering

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