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EVODEX.1-P3392

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:43][C:42]([C@:41]1([H:79])[O:40][C@:39]([N:38]2:[C:37]([H:74]):[C:36]([H:73]):[C:35](=[N:34][C:33](=[O:32])[C:51]3:[C:52]([H:85]):[C:53]([H:86]):[C:54]([H:87]):[C:55]([H:88]):[C:56]:3[H:89]):[N:50]:[C:48]:2[O:49][H:84])([H:75])[C@:46]([O:47][H:82])([H:83])[C@:44]1([O:45][H:80])[H:81])([H:77])[H:78]>>[H]OP(=O)(O[H])[O:43][C:42]([C@:41]1([H:79])[O:40][C@:39]([N:38]2:[C:37]([H:74]):[C:36]([H:73]):[C:35](=[N:34][C:33](=[O:32])[C:51]3:[C:52]([H:85]):[C:53]([H:86]):[C:54]([H:87]):[C:55]([H:88]):[C:56]:3[H:89]):[N:50]:[C:48]:2[O:49][H:84])([H:75])[C@:46]([O:47][H:82])([H:83])[C@:44]1([O:45][H:80])[H:81])([H:77])[H:78]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

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-R4056

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:57]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:58]):[N:10]:2[C@:11]1([H:59])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:60])[O:19][P:20](=[O:21])([O:22][H:61])[O:23][P:24](=[O:25])([O:26][H:62])[O:27][H:63])([H:64])[H:65])([H:66])[C@:28]([O:29][H:67])([H:68])[C@:30]1([O:31][H:69])[H:70])([H:71])[H:72].[H][O:43][C:42]([C@:41]1([H:79])[O:40][C@:39]([N:38]2:[C:37]([H:74]):[C:36]([H:73]):[C:35](=[N:34][C:33](=[O:32])[C:51]3:[C:52]([H:85]):[C:53]([H:86]):[C:54]([H:87]):[C:55]([H:88]):[C:56]:3[H:89]):[N:50]:[C:48]:2[O:49][H:84])([H:75])[C@:46]([O:47][H:82])([H:83])[C@:44]1([O:45][H:80])[H:81])([H:77])[H:78]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@@:13]1([H:66])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:57]):[N:3]:[C:2]([N:1]([H:71])[H:72]):[C:7]:3:[N:8]:[C:9]:2[H:58])([H:59])[C@@:30]([O:31][H:69])([H:70])[C@@:28]1([O:29][H:67])[H:68])([H:64])[H:65])(=[O:17])[O:18][H:60])(=[O:21])[O:22][H:61].[P:24](=[O:25])([O:26][H:62])([O:27][H:63])[O:43][C:42]([C@:41]1([H:79])[O:40][C@:39]([N:38]2:[C:37]([H:74]):[C:36]([H:73]):[C:35](=[N:34][C:33](=[O:32])[C:51]3:[C:52]([H:85]):[C:53]([H:86]):[C:54]([H:87]):[C:55]([H:88]):[C:56]:3[H:89]):[N:50]:[C:48]:2[O:49][H:84])([H:75])[C@:46]([O:47][H:82])([H:83])[C@:44]1([O:45][H:80])[H:81])([H:77])[H:78]