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EVODEX.1-P3361

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:24][C:23]([C:20]([C@:18]([C:16]([N:15]([C:14]([C:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])[H:75])=[O:8])([H:73])[H:74])[H:72])=[O:12])([H:70])[H:71])([H:68])[H:69])[H:67])=[O:17])([O:19][H:56])[H:66])([C:21]([H:57])([H:58])[H:59])[C:22]([H:60])([H:61])[H:62])([H:64])[H:65].[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])OP(=O)(O[H])O[P:48](=[O:49])([O:50][H:92])[O:51][H:93]>>[C:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C:13]([C:14]([N:15]([C:16](=[O:17])[C@:18]([O:19][H:56])([C:20]([C:21]([H:57])([H:58])[H:59])([C:22]([H:60])([H:61])[H:62])[C:23]([O:24][P:48](=[O:49])([O:50][H:92])[O:51][H:93])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[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]

Derived Operators

EVODEX.1-F125 - Elemental Balance

P-2
O-10
C-10
N-5
H-15

EVODEX.1-M11 - Mass Difference

-427.02955

EVODEX.1-E754 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:83](=[#8:84])(-[#8:85])-[#8:86])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:53]-[#8:55]-[H]>>[#6:53]-[#8:55]-[#15:83](=[#8:84])(-[#8:85])-[#8:86]

EVODEX.1-C43 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:8].[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]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:33]>>[#8:8]-[#15:33]

EVODEX.1-N16 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:56]-[#6:55].[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]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]>>[#6:55]-[#8:56]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4022

Full Reaction Rendering

[H][O:24][C:23]([C:20]([C@:18]([C:16]([N:15]([C:14]([C:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:84])([H:85])[H:86])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])[H:75])=[O:8])([H:73])[H:74])[H:72])=[O:12])([H:70])[H:71])([H:68])[H:69])[H:67])=[O:17])([O:19][H:56])[H:66])([C:21]([H:57])([H:58])[H:59])[C:22]([H:60])([H:61])[H:62])([H:64])[H:65].[N:25]([C:26]1:[N:27]:[C:28]([H:87]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:88]):[N:34]:2[C@:35]1([H:89])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:90])[O:43][P:44](=[O:45])([O:46][H:91])[O:47][P:48](=[O:49])([O:50][H:92])[O:51][H:93])([H:94])[H:95])([H:96])[C@:52]([O:53][H:97])([H:98])[C@:54]1([O:55][H:99])[H:100])([H:101])[H:102]>>[C:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C:13]([C:14]([N:15]([C:16](=[O:17])[C@:18]([O:19][H:56])([C:20]([C:21]([H:57])([H:58])[H:59])([C:22]([H:60])([H:61])[H:62])[C:23]([O:24][P:48](=[O:49])([O:50][H:92])[O:51][H:93])([H:64])[H:65])[H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[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][O:47][P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:96])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:87]):[N:27]:[C:26]([N:25]([H:101])[H:102]):[C:31]:3:[N:32]:[C:33]:2[H:88])([H:89])[C@@:54]([O:55][H:99])([H:100])[C@@:52]1([O:53][H:97])[H:98])([H:94])[H:95])(=[O:41])[O:42][H:90])(=[O:45])[O:46][H:91]