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EVODEX.1-P3629

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:28][P:26]([O:25][C:24]([C@:22]([C@:20]([C@:18]([C:17]([N:16]1:[C:5]2:[C:4]([H:64]):[C:3]([H:63]):[C:2]([C:1]([H:81])([H:82])[H:83]):[C:30]([C:31]([H:78])([H:79])[H:80]):[C:6]:2:[N:7]:[C:8]2:[C:9](=[O:10]):[N:11]([H:65]):[C:12](=[O:13]):[N:14]:[C:15]:12)([H:76])[H:77])([O:19][H:66])[H:75])([O:21][H:67])[H:74])([O:23][H:68])[H:73])([H:71])[H:72])(=[O:27])[O:29][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:28][P:26]([O:25][C:24]([C@:22]([C@:20]([C@:18]([C:17]([N:16]1:[C:5]2:[C:4]([H:64]):[C:3]([H:63]):[C:2]([C:1]([H:81])([H:82])[H:83]):[C:30]([C:31]([H:78])([H:79])[H:80]):[C:6]:2:[N:7]:[C:8]2:[C:9](=[O:10]):[N:11]([H:65]):[C:12](=[O:13]):[N:14]:[C:15]:12)([H:76])[H:77])([O:19][H:66])[H:75])([O:21][H:67])[H:74])([O:23][H:68])[H:73])([H:71])[H:72])(=[O:27])[O:29][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-R4393

Full Reaction Rendering

[H][O:28][P:26]([O:25][C:24]([C@:22]([C@:20]([C@:18]([C:17]([N:16]1:[C:5]2:[C:4]([H:64]):[C:3]([H:63]):[C:2]([C:1]([H:81])([H:82])[H:83]):[C:30]([C:31]([H:78])([H:79])[H:80]):[C:6]:2:[N:7]:[C:8]2:[C:9](=[O:10]):[N:11]([H:65]):[C:12](=[O:13]):[N:14]:[C:15]:12)([H:76])[H:77])([O:19][H:66])[H:75])([O:21][H:67])[H:74])([O:23][H:68])[H:73])([H:71])[H:72])(=[O:27])[O:29][H:70].[N:32]([C:33]1:[N:34]:[C:35]([H:84]):[N:36]:[C:37]2:[C:38]:1:[N:39]:[C:40]([H:85]):[N:41]:2[C@:42]1([H:86])[O:43][C@@:44]([C:45]([O:46][P:47](=[O:48])([O:49][H:87])[O:50][P:51](=[O:52])([O:53][H:88])[O:54][P:55](=[O:56])([O:57][H:89])[O:58][H:90])([H:91])[H:92])([H:93])[C@:59]([O:60][H:94])([H:95])[C@:61]1([O:62][H:96])[H:97])([H:98])[H:99]>>[C:1]([C:2]1:[C:3]([H:63]):[C:4]([H:64]):[C:5]2:[C:6](:[N:7]:[C:8]3:[C:9](=[O:10]):[N:11]([H:65]):[C:12](=[O:13]):[N:14]:[C:15]3:[N:16]:2[C:17]([C@:18]([O:19][H:66])([C@:20]([O:21][H:67])([C@:22]([O:23][H:68])([C:24]([O:25][P:26](=[O:27])([O:28][P:47]([O:46][C:45]([C@@:44]2([H:93])[O:43][C@:42]([N:41]3:[C:37]4:[N:36]:[C:35]([H:84]):[N:34]:[C:33]([N:32]([H:98])[H:99]):[C:38]:4:[N:39]:[C:40]:3[H:85])([H:86])[C@@:61]([O:62][H:96])([H:97])[C@@:59]2([O:60][H:94])[H:95])([H:91])[H:92])(=[O:48])[O:49][H:87])[O:29][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])([H:76])[H:77]):[C:30]:1[C:31]([H:78])([H:79])[H:80])([H:81])([H:82])[H:83].[H][O:50][P:51](=[O:52])([O:53][H:88])[O:54][P:55](=[O:56])([O:57][H:89])[O:58][H:90]