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EVODEX.1-P17

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:16])([H:17])[H:18])[O:4][H].[O:5]=[C:6]([C:7]([F:8])([H:24])[H:25])[C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([F:13]):[C:14]([H:28]):[C:15]:1[H:29]>>[C:1]([C:2]([C:3]([H:16])([H:17])[H:18])=[O:4])([H:21])([H:22])[H:23].[H][O:5][C@@:6]([H])([C:7]([F:8])([H:24])[H:25])[C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([F:13]):[C:14]([H:28]):[C:15]:1[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E256 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4].[#6:8]-[#6:9](-[#8:10]-[H])(-[#6:11])-[H]>>[#6:1]-[#6:2](-[#8:3]-[H])(-[#6:4])-[H].[#6:8]-[#6:9](=[#8:10])-[#6:11]

EVODEX.1-C192 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:26]-[#8:27]-[H].[#6:10]=[#8:11]>>[#6:26]=[#8:27].[H]-[#6@:10]-[#8:11]-[H]

EVODEX.1-N105 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:10](-[#6@@:8])(=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6@:10](-[#6@@:8])(-[#8:11]-[H])-[#6:12]

EVODEX.1-Em156 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:8]-[#6:10](=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6:10](-[#6:8])(-[#8:11]-[H])-[#6:12]

EVODEX.1-Cm172 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:26]-[#8:27]-[H].[#6:10]=[#8:11]>>[#6:26]=[#8:27].[H]-[#6:10]-[#8:11]-[H]

EVODEX.1-Nm178 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:26](-[#8:27]-[H])(-[#6:25])-[#6:28].[#6:8]-[#6:10](=[#8:11])-[#6:12]>>[#6:25]-[#6:26](=[#8:27])-[#6:28].[H]-[#6:10](-[#6:8])(-[#8:11]-[H])-[#6:12]

Source Full Reactions

EVODEX.1-R17

Full Reaction Rendering

[H][C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:16])([H:17])[H:18])[O:4][H].[O:5]=[C:6]([C:7]([F:8])([H:24])[H:25])[C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([F:13]):[C:14]([H:28]):[C:15]:1[H:29]>>[C:1]([C:2]([C:3]([H:16])([H:17])[H:18])=[O:4])([H:21])([H:22])[H:23].[H][O:5][C@@:6]([H])([C:7]([F:8])([H:24])[H:25])[C:9]1:[C:10]([H:26]):[C:11]([H:27]):[C:12]([F:13]):[C:14]([H:28]):[C:15]:1[H:29]