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EVODEX.1-P3337

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:44][C:43]([C@:42]1([H:75])[C@:40]([O:41][H:70])([H:71])[C:39]([H:68])([H:69])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:66]):[C:33](=[O:32]):[C:47]([C:48]([O:49][H:77])([H:78])[H:79]):[C:46]:2[H:76])([H:67])[O:45]1)([H:73])[H:74]>>[H]OP(=O)(O[H])[O:44][C:43]([C@:42]1([H:75])[C@:40]([O:41][H:70])([H:71])[C:39]([H:68])([H:69])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:66]):[C:33](=[O:32]):[C:47]([C:48]([O:49][H:77])([H:78])[H:79]):[C:46]:2[H:76])([H:67])[O:45]1)([H:73])[H:74]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1027 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:34]-[#6@@:35](-[#8:36])(-[H:62])-[#6@:37]-[#6:38]-[#8:39]-[H]>>[#15](=[#8])(-[#8]-[H])(-[#8]-[H])-[#8:39]-[#6:38]-[#6@:37]-[#6@:35](-[#8:36])(-[H:62])-[#6:34]

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]

EVODEX.1-N12 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#6:26]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#6:26]

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-R3984

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:50]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:51]):[N:10]:2[C@:11]1([H:52])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:53])[O:19][P:20](=[O:21])([O:22][H:54])[O:23][P:24](=[O:25])([O:26][H:55])[O:27][H:56])([H:57])[H:58])([H:59])[C@:28]([O:29][H:60])([H:61])[C@:30]1([O:31][H:62])[H:63])([H:64])[H:65].[H][O:44][C:43]([C@:42]1([H:75])[C@:40]([O:41][H:70])([H:71])[C:39]([H:68])([H:69])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:66]):[C:33](=[O:32]):[C:47]([C:48]([O:49][H:77])([H:78])[H:79]):[C:46]:2[H:76])([H:67])[O:45]1)([H:73])[H:74]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:59])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:50]):[N:3]:[C:2]([N:1]([H:64])[H:65]):[C:7]:3:[N:8]:[C:9]:2[H:51])([H:52])[C@@:30]([O:31][H:62])([H:63])[C@@:28]1([O:29][H:60])[H:61])([H:57])[H:58])(=[O:17])[O:18][H:53])(=[O:21])[O:22][H:54].[P:24](=[O:25])([O:26][H:55])([O:27][H:56])[O:44][C:43]([C@:42]1([H:75])[C@:40]([O:41][H:70])([H:71])[C:39]([H:68])([H:69])[C@@:38]([N:37]2:[C:35](=[O:36]):[N:34]([H:66]):[C:33](=[O:32]):[C:47]([C:48]([O:49][H:77])([H:78])[H:79]):[C:46]:2[H:76])([H:67])[O:45]1)([H:73])[H:74]