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EVODEX.1-P7552

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:27][P:25]([O:24][P:21]([O:20][P:17]([O:16][C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:86])([H:87])[H:88])[C:3]([H:60])([H:61])[H:62])[H:85])([H:83])[H:84])([H:81])[H:82])[C:8]([H:63])([H:64])[H:65])[H:80])([H:78])[H:79])([H:76])[H:77])[C:13]([H:66])([H:67])[H:68])[H:75])([H:73])[H:74])(=[O:18])[O:19][H:69])(=[O:22])[O:23][H:70])(=[O:26])[O:28][H:72]>>[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:27][P:25]([O:24][P:21]([O:20][P:17]([O:16][C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:86])([H:87])[H:88])[C:3]([H:60])([H:61])[H:62])[H:85])([H:83])[H:84])([H:81])[H:82])[C:8]([H:63])([H:64])[H:65])[H:80])([H:78])[H:79])([H:76])[H:77])[C:13]([H:66])([H:67])[H:68])[H:75])([H:73])[H:74])(=[O:18])[O:19][H:69])(=[O:22])[O:23][H:70])(=[O:26])[O:28][H:72]

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-R7958

Full Reaction Rendering

[H][O:27][P:25]([O:24][P:21]([O:20][P:17]([O:16][C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:86])([H:87])[H:88])[C:3]([H:60])([H:61])[H:62])[H:85])([H:83])[H:84])([H:81])[H:82])[C:8]([H:63])([H:64])[H:65])[H:80])([H:78])[H:79])([H:76])[H:77])[C:13]([H:66])([H:67])[H:68])[H:75])([H:73])[H:74])(=[O:18])[O:19][H:69])(=[O:22])[O:23][H:70])(=[O:26])[O:28][H:72].[N:29]([C:30]1:[N:31]:[C:32]([H:89]):[N:33]:[C:34]2:[C:35]:1:[N:36]:[C:37]([H:90]):[N:38]:2[C@:39]1([H:91])[O:40][C@@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:92])[O:47][P:48](=[O:49])([O:50][H:93])[O:51][P:52](=[O:53])([O:54][H:94])[O:55][H:95])([H:96])[H:97])([H:98])[C@:56]([O:57][H:99])([H:100])[C@:58]1([O:59][H:101])[H:102])([H:103])[H:104]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:63])([H:64])[H:65])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:66])([H:67])[H:68])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:69])[O:20][P:21](=[O:22])([O:23][H:70])[O:24][P:25](=[O:26])([O:27][P:44]([O:43][C:42]([C@@:41]1([H:98])[O:40][C@:39]([N:38]2:[C:34]3:[N:33]:[C:32]([H:89]):[N:31]:[C:30]([N:29]([H:103])[H:104]):[C:35]:3:[N:36]:[C:37]:2[H:90])([H:91])[C@@:58]([O:59][H:101])([H:102])[C@@:56]1([O:57][H:99])[H:100])([H:96])[H:97])(=[O:45])[O:46][H:92])[O:28][H:72])([H:73])[H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])([H:86])([H:87])[H:88].[H][O:47][P:48](=[O:49])([O:50][H:93])[O:51][P:52](=[O:53])([O:54][H:94])[O:55][H:95]