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EVODEX.1-P3310

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:7][C:6]1([H:51])[C@@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:49])[C@:16]([O:17][H:57])([H:58])[C@@:14]([O:15][H:55])([H:56])[C@:9]([C:10]([N:11]=[N+:12]=[N-:13])([H:52])[H:53])([H:54])[O:8]1>>[H]OP(=O)(O[H])[O:7][C@:6]1([H:51])[C@@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:49])[C@:16]([O:17][H:57])([H:58])[C@@:14]([O:15][H:55])([H:56])[C@:9]([C:10]([N:11]=[N+:12]=[N-:13])([H:52])[H:53])([H:54])[O:8]1

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1026 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:3]-[#6:4](-[#8:5]-[H])(-[H:45])-[#6@:6]>>[#8:3]-[#6@@:4](-[#8:5]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:45])-[#6@:6]

EVODEX.1-C178 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:101]-[#6@@:99]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:101]-[#6:99]

EVODEX.1-N569 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4](-[H:45])(-[#8:3])-[#6@@:6]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:5]-[#6@@:4](-[H:45])(-[#8:3])-[#6@@:6]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27]>>[#15]-[#8:27]

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3953

Full Reaction Rendering

[H][O:7][C:6]1([H:51])[C@@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([H:49])[C@:16]([O:17][H:57])([H:58])[C@@:14]([O:15][H:55])([H:56])[C@:9]([C:10]([N:11]=[N+:12]=[N-:13])([H:52])[H:53])([H:54])[O:8]1.[N:18]([C:19]1:[N:20]:[C:21]([H:63]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:64]):[N:27]:2[C@:28]1([H:65])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:66])[O:36][P:37](=[O:38])([O:39][H:67])[O:40][P:41](=[O:42])([O:43][H:68])[O:44][H:69])([H:70])[H:71])([H:72])[C@:45]([O:46][H:73])([H:74])[C@:47]1([O:48][H:75])[H:76])([H:77])[H:78]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:49])[C@:6]([O:7][P:41](=[O:42])([O:43][H:68])[O:44][H:69])([H:51])[O:8][C@@:9]([C:10]([N:11]=[N+:12]=[N-:13])([H:52])[H:53])([H:54])[C@:14]([O:15][H:55])([H:56])[C@@:16]1([O:17][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:40][P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:72])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:63]):[N:20]:[C:19]([N:18]([H:77])[H:78]):[C:24]:3:[N:25]:[C:26]:2[H:64])([H:65])[C@@:47]([O:48][H:75])([H:76])[C@@:45]1([O:46][H:73])[H:74])([H:70])[H:71])(=[O:34])[O:35][H:66])(=[O:38])[O:39][H:67]