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EVODEX.1-P2480

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([C:7](=[O:8])[O:9][H:50]):[C:10]:1[H:51])[H:52]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([N:1]([C:2]2:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([C:7](=[O:8])[O:9][H:50]):[C:10]:2[H:51])[H:52])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O5
C6
H10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E527 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12]-[#7:13](-[H:51])-[H]>>[#6:12]-[#7:13](-[#6]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[H:51]

EVODEX.1-C387 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#7:1])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N463 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:52]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#7:1](-[#6:2])-[H:52])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em501 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#6](-[H])(-[#7:1]-[#6:2])-[#6]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm452 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1]-[#6:2]>>[#8]-[#6](-[H])(-[#7:1]-[#6:2])-[#6]

Source Full Reactions

EVODEX.1-R3227

Full Reaction Rendering

[H][N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([C:7](=[O:8])[O:9][H:50]):[C:10]:1[H:51])[H:52].[O:11]=[C:12]1:[C:13]([H:54]):[C:14]([H:55]):[N:15]([C@:16]2([H:56])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:57])[O:24][P:25](=[O:26])([O:27][H:58])[O:28][C@@:29]3([H:59])[O:30][C@@:31]([C:32]([O:33][H:60])([H:61])[H:62])([H:63])[C@:34]([O:35][H:64])([H:65])[C@@:36]([O:37][H:66])([H:67])[C@:38]3([O:39][H:68])[H:69])([H:70])[H:71])([H:72])[C@:40]([O:41][H:73])([H:74])[C@:42]2([O:43][H:75])[H:76]):[C:44](=[O:45]):[N:46]:1[H:77]>>[N:1]([C:2]1:[C:3]([H:47]):[C:4]([H:48]):[C:5]([H:49]):[C:6]([C:7](=[O:8])[O:9][H:50]):[C:10]:1[H:51])([C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][H:60])([H:61])[H:62])([H:63])[C@:34]([O:35][H:64])([H:65])[C@@:36]([O:37][H:66])([H:67])[C@:38]1([O:39][H:68])[H:69])[H:52].[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:72])[O:17][C@:16]([N:15]2:[C:14]([H:55]):[C:13]([H:54]):[C:12](=[O:11]):[N:46]([H:77]):[C:44]:2=[O:45])([H:56])[C@@:42]([O:43][H:75])([H:76])[C@@:40]1([O:41][H:73])[H:74])([H:70])[H:71])(=[O:22])[O:23][H:57])(=[O:26])[O:27][H:58]