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EVODEX.1-P856

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E266 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:16]=[#8:17].[#6:5](=[#8:6])-[#6@@:7](-[#6:8](-[#6:9])(-[H:26])-[H])(-[H])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15].[#8:16](-[#8:17]-[H])-[H]

EVODEX.1-C102 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-N1197 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:16]=[#8:17].[H]-[#6@:7](-[#6:8](-[H])(-[#6:9])-[H:26])(-[#6:5])-[#7:15]>>[#6:5]-[#6:7](=[#6:8](-[#6:9])-[H:26])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Em323 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:16]=[#8:17].[H]-[#6:7](-[#6:8](-[H])-[#6:9])(-[#6:5]=[#8:6])-[#7:15]>>[#6:5](=[#8:6])-[#6:7](=[#6:8]-[#6:9])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

EVODEX.1-Cm127 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:51]-[#6:52]-[H].[#8:62]=[#8:63]>>[#6:51]=[#6:52].[H]-[#8:62]-[#8:63]-[H]

EVODEX.1-Nm728 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:16]=[#8:17].[H]-[#6:7](-[#6:8](-[H])-[#6:9])(-[#6:5])-[#7:15]>>[#6:5]-[#6:7](=[#6:8]-[#6:9])-[#7:15].[H]-[#8:16]-[#8:17]-[H]

Source Full Reactions

EVODEX.1-R823

Full Reaction Rendering

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