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EVODEX.1-P3543

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][P:25](=[O:26])([O:27][H:67])[O:28][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][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:82])([H:83])[H:84])[C:3]([H:56])([H:57])[H:58])[H:81])([H:79])[H:80])([H:77])[H:78])[C:8]([H:59])([H:60])[H:61])[H:76])([H:74])[H:75])([H:72])[H:73])[C:13]([H:62])([H:63])[H:64])[H:71])([H:69])[H:70])(=[O:18])[O:19][H:65])(=[O:22])[O:23][H:66].[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:25](=[O:26])([O:27][H:67])[O:28][H:68]

Derived Operators

EVODEX.1-F385 - Elemental Balance

P2
O10
C10
N5
H15

EVODEX.1-M27 - Mass Difference

427.02955

EVODEX.1-E1182 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:47]-[#8:50]-[#15:51](=[#8:52])(-[#8:53])-[#8:54]>>[#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]-[#15:51](=[#8:52])(-[#8:53])-[#8:54])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:47]-[#8:50]-[H]

EVODEX.1-C1089 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:24]-[#15:25]>>[H]-[#8:24].[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]-[#15:25]

EVODEX.1-N1681 - Reaction Operator N

Reaction Operator N SMIRKS

[#15:21]-[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]>>[H]-[#8:24]-[#15:21].[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]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]

EVODEX.1-Em36 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm39 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]

Source Full Reactions

EVODEX.1-R4250

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:56])([H:57])[H:58])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:59])([H:60])[H:61])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:62])([H:63])[H:64])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][P:25](=[O:26])([O:27][H:67])[O:28][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][O:50][P:48]([O:47][P:44]([O:43][C:42]([C@@:41]1([H:93])[O:40][C@:39]([N:38]2:[C:34]3:[N:33]:[C:32]([H:85]):[N:31]:[C:30]([N:29]([H:98])[H:99]):[C:35]:3:[N:36]:[C:37]:2[H:86])([H:87])[C@@:54]([O:55][H:96])([H:97])[C@@:52]1([O:53][H:94])[H:95])([H:91])[H:92])(=[O:45])[O:46][H:88])(=[O:49])[O:51][H:90]>>[H][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:82])([H:83])[H:84])[C:3]([H:56])([H:57])[H:58])[H:81])([H:79])[H:80])([H:77])[H:78])[C:8]([H:59])([H:60])[H:61])[H:76])([H:74])[H:75])([H:72])[H:73])[C:13]([H:62])([H:63])[H:64])[H:71])([H:69])[H:70])(=[O:18])[O:19][H:65])(=[O:22])[O:23][H:66].[P:25](=[O:26])([O:27][H:67])([O:28][H:68])[O:50][P:48]([O:47][P:44]([O:43][C:42]([C@@:41]1([H:93])[O:40][C@:39]([N:38]2:[C:34]3:[N:33]:[C:32]([H:85]):[N:31]:[C:30]([N:29]([H:98])[H:99]):[C:35]:3:[N:36]:[C:37]:2[H:86])([H:87])[C@@:54]([O:55][H:96])([H:97])[C@@:52]1([O:53][H:94])[H:95])([H:91])[H:92])(=[O:45])[O:46][H:88])(=[O:49])[O:51][H:90]