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EVODEX.1-P7549

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:22][P:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:65])([H:66])[C:6]([H:63])([H:64])[C@@:5]([N:4]2:[C:3]([H:61]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:28](=[O:29]):[N:27]([H:74]):[C:25]:2=[O:26])([H:62])[O:24]1)([H:71])[H:72])(=[O:13])[O:14][H:67])(=[O:17])[O:18][H:68])(=[O:21])[O:23][H:70]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:22][P:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:65])([H:66])[C:6]([H:63])([H:64])[C@@:5]([N:4]2:[C:3]([H:61]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:28](=[O:29]):[N:27]([H:74]):[C:25]:2=[O:26])([H:62])[O:24]1)([H:71])[H:72])(=[O:13])[O:14][H:67])(=[O:17])[O:18][H:68])(=[O:21])[O:23][H:70]

Derived Operators

EVODEX.1-F116 - Elemental Balance

P1
O6
C10
N5
H12

EVODEX.1-M34 - Mass Difference

329.05266

EVODEX.1-E733 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]

EVODEX.1-C128 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:27]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]

EVODEX.1-N576 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#15:25]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#15:25]

EVODEX.1-Em28 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm28 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]

Source Full Reactions

EVODEX.1-R7953

Full Reaction Rendering

[H][O:22][P:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:65])([H:66])[C:6]([H:63])([H:64])[C@@:5]([N:4]2:[C:3]([H:61]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:28](=[O:29]):[N:27]([H:74]):[C:25]:2=[O:26])([H:62])[O:24]1)([H:71])[H:72])(=[O:13])[O:14][H:67])(=[O:17])[O:18][H:68])(=[O:21])[O:23][H:70].[N:30]([C:31]1:[N:32]:[C:33]([H:78]):[N:34]:[C:35]2:[C:36]:1:[N:37]:[C:38]([H:79]):[N:39]:2[C@:40]1([H:80])[O:41][C@@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:81])[O:48][P:49](=[O:50])([O:51][H:82])[O:52][P:53](=[O:54])([O:55][H:83])[O:56][H:84])([H:85])[H:86])([H:87])[C@:57]([O:58][H:88])([H:89])[C@:59]1([O:60][H:90])[H:91])([H:92])[H:93]>>[C:1]([C:2]1:[C:3]([H:61]):[N:4]([C@@:5]2([H:62])[C:6]([H:63])([H:64])[C@@:7]([O:8][H:65])([H:66])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:67])[O:15][P:16](=[O:17])([O:18][H:68])[O:19][P:20](=[O:21])([O:22][P:45]([O:44][C:43]([C@@:42]3([H:87])[O:41][C@:40]([N:39]4:[C:35]5:[N:34]:[C:33]([H:78]):[N:32]:[C:31]([N:30]([H:92])[H:93]):[C:36]:5:[N:37]:[C:38]:4[H:79])([H:80])[C@@:59]([O:60][H:90])([H:91])[C@@:57]3([O:58][H:88])[H:89])([H:85])[H:86])(=[O:46])[O:47][H:81])[O:23][H:70])([H:71])[H:72])([H:73])[O:24]2):[C:25](=[O:26]):[N:27]([H:74]):[C:28]:1=[O:29])([H:75])([H:76])[H:77].[H][O:48][P:49](=[O:50])([O:51][H:82])[O:52][P:53](=[O:54])([O:55][H:83])[O:56][H:84]