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EVODEX.1-P183

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E314 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:14](-[#6@:13](-[#6@:11])(-[#6@:15])-[H])-[H]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H]

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-Em195 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]: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-R229

Full Reaction Rendering

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