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EVODEX.1-P6601

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:14][C:13]1:[C:12]([C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:21]):[C:7]([H:22]):[C:8]([F:9]):[C:10]([H:23]):[C:11]:2[H:24])[H:25])[H:26]):[C:19]([O:20][H:31]):[C:18]([H:30]):[C:16]([O:17][H:29]):[C:15]:1[H:28]>>[H][C:3]1([H:26])[C:2](=[O:1])[C:12]2:[C:13](:[C:15]([H:28]):[C:16]([O:17][H:29]):[C:18]([H:30]):[C:19]:2[O:20][H:31])[O:14][C@:4]1([C:5]1:[C:6]([H:21]):[C:7]([H:22]):[C:8]([F:9]):[C:10]([H:23]):[C:11]:1[H:24])[H:25]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E68 - Reaction Operator E

Reaction Operator E SMIRKS

([#6:5]-[#6:6](=[#6:7](-[#6:8]=[#8:9])-[H:29])-[H:30].[#6:17]-[#8:18]-[H])>>[#6:5]-[#6@:6](-[H:30])(-[#6:7](-[H:29])(-[H])-[#6:8]=[#8:9])-[#8:18]-[#6:17]

EVODEX.1-C763 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:18].[#6:7]=[#6:6])>>[H]-[#6:7]-[#6@:6]-[#8:18]

EVODEX.1-N974 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#8:18]-[#6:17].[#6:8]-[#6:7](=[#6:6](-[#6:5])-[H:30])-[H:29])>>[H]-[#6:7](-[H:29])(-[#6@:6](-[#6:5])(-[H:30])-[#8:18]-[#6:17])-[#6:8]

EVODEX.1-Em791 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#8:18]-[#6:17].[#6:8](-[#6:7]=[#6:6]-[#6:5])=[#8:9])>>[H]-[#6:7](-[#6:6](-[#6:5])-[#8:18]-[#6:17])-[#6:8]=[#8:9]

EVODEX.1-Cm315 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#8:18].[#6:7]=[#6:6])>>[H]-[#6:7]-[#6:6]-[#8:18]

EVODEX.1-Nm712 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#8:18]-[#6:17].[#6:8]-[#6:7]=[#6:6]-[#6:5])>>[H]-[#6:7](-[#6:6](-[#6:5])-[#8:18]-[#6:17])-[#6:8]

Source Full Reactions

EVODEX.1-R7182

Full Reaction Rendering

[H][O:14][C:13]1:[C:12]([C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:21]):[C:7]([H:22]):[C:8]([F:9]):[C:10]([H:23]):[C:11]:2[H:24])[H:25])[H:26]):[C:19]([O:20][H:31]):[C:18]([H:30]):[C:16]([O:17][H:29]):[C:15]:1[H:28]>>[H][C:3]1([H:26])[C:2](=[O:1])[C:12]2:[C:13](:[C:15]([H:28]):[C:16]([O:17][H:29]):[C:18]([H:30]):[C:19]:2[O:20][H:31])[O:14][C@:4]1([C:5]1:[C:6]([H:21]):[C:7]([H:22]):[C:8]([F:9]):[C:10]([H:23]):[C:11]:1[H:24])[H:25]