EVODEX.1-P5986 - Partial Reaction

SMIRKS

[H]OC1([H])[C@]([H])(O[H])[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:27][P:24]([O:23][C:22]([C@@:21]2([H:88])[O:20][C@:19]([N:18]3[C:4]4:[N:3]([H:59]):[C:2](=[N:1][H:93]):[N:8]([H:60]):[C:6](=[O:7]):[C:5]:4[N:9]([C:10]([C:11]4:[C:12]([H:61]):[C:13]([H:62]):[C:14]([H:63]):[C:15]([H:64]):[C:16]:4[H:65])([H:66])[H:67])[C:17]3([H:68])[H:69])([H:70])[C:56]([O:57][H:91])([H:92])[C@:54]2([O:55][H:89])[H:90])([H:86])[H:87])(=[O:25])[O:26][H:71])O[C@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H][O:27][P:24]([O:23][C:22]([C@@:21]1([H:88])[O:20][C@:19]([N:18]2[C:4]3:[N:3]([H:59]):[C:2](=[N:1][H:93]):[N:8]([H:60]):[C:6](=[O:7]):[C:5]:3[N:9]([C:10]([C:11]3:[C:12]([H:61]):[C:13]([H:62]):[C:14]([H:63]):[C:15]([H:64]):[C:16]:3[H:65])([H:66])[H:67])[C:17]2([H:68])[H:69])([H:70])[C:56]([O:57][H:91])([H:92])[C@:54]1([O:55][H:89])[H:90])([H:86])[H:87])(=[O:25])[O:26][H:71]

Derived Operators

EVODEX.1-F110 - Elemental Balance

P	-2
O	-9
C	-10
N	-5
H	-13

EVODEX.1-M63 - Mass Difference

-409.01899

EVODEX.1-E694 - Reaction Operator E

[#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])-[#8:23]-[#15:24])(-[H])-[H])(-[H])-[#6](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:23](-[#15:24])-[H]

EVODEX.1-C470 - Reaction Operator C

[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])-[#8:13]>>[H]-[#8:13]

EVODEX.1-N573 - Reaction Operator N

EVODEX.1-Em35 - Reaction Operator Em

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

EVODEX.1-Cm44 - Reaction Operator Cm

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm37 - Reaction Operator Nm

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

Source Full Reactions

EVODEX.1-R6629

[H][O:34][P:32]([O:31][P:28]([O:27][P:24]([O:23][C:22]([C@@:21]1([H:88])[O:20][C@:19]([N:18]2[C:4]3:[N:3]([H:59]):[C:2](=[N:1][H:93]):[N:8]([H:60]):[C:6](=[O:7]):[C:5]:3[N:9]([C:10]([C:11]3:[C:12]([H:61]):[C:13]([H:62]):[C:14]([H:63]):[C:15]([H:64]):[C:16]:3[H:65])([H:66])[H:67])[C:17]2([H:68])[H:69])([H:70])[C:56]([O:57][H:91])([H:92])[C@:54]1([O:55][H:89])[H:90])([H:86])[H:87])(=[O:25])[O:26][H:71])(=[O:29])[O:30][H:72])(=[O:33])[O:35][C:36]([C@:37]1([H:74])[O:38][C@@:39]([N:40]2:[C:41]([H:75]):[N:42]:[C:43]3:[C:44]([N:45]([H:76])[H:77]):[N:46]:[C:47]([H:78]):[N:48]:[C:49]:2:3)([H:79])[C:50]([O:51][H:80])([H:81])[C@@:52]1([O:53][H:82])[H:83])([H:84])[H:85].[H][O:58][H:94]>>[H][O:27][P:24]([O:23][C:22]([C@@:21]1([H:88])[O:20][C@:19]([N:18]2[C:4]3:[N:3]([H:59]):[C:2](=[N:1][H:93]):[N:8]([H:60]):[C:6](=[O:7]):[C:5]:3[N:9]([C:10]([C:11]3:[C:12]([H:61]):[C:13]([H:62]):[C:14]([H:63]):[C:15]([H:64]):[C:16]:3[H:65])([H:66])[H:67])[C:17]2([H:68])[H:69])([H:70])[C:56]([O:57][H:91])([H:92])[C@:54]1([O:55][H:89])[H:90])([H:86])[H:87])(=[O:25])[O:26][H:71].[H][O:31][P:32](=[O:33])([O:34][P:28](=[O:29])([O:30][H:72])[O:58][H:94])[O:35][C:36]([C@:37]1([H:74])[O:38][C@@:39]([N:40]2:[C:41]([H:75]):[N:42]:[C:43]3:[C:44]([N:45]([H:76])[H:77]):[N:46]:[C:47]([H:78]):[N:48]:[C:49]:2:3)([H:79])[C:50]([O:51][H:80])([H:81])[C@@:52]1([O:53][H:82])[H:83])([H:84])[H:85]