EVODEX.1-P3573 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])C([H])([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:50](=[O:51])([O:52][H:64])[O:53][H:65].[H][O:17][P:15]([O:14][C:13]([C@@:12]1([H:78])[O:11][C@:10]([N:9]2:[C:8]([H:72]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:71]):[C:2](=[N:1][H:84]):[N:24]([H:83]):[C:23]:3:2)([H:73])[C@@:21]([O:22][H:81])([H:82])[C@@:19]1([O:20][H:79])[H:80])([H:76])[H:77])(=[O:16])[O:18][H:75]>>[N:1](=[C:2]1:[N:3]([H:71]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:72]):[N:9]([C@:10]3([H:73])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][P:50](=[O:51])([O:52][H:64])[O:53][H:65])[O:18][H:75])([H:76])[H:77])([H:78])[C@:19]([O:20][H:79])([H:80])[C@:21]3([O:22][H:81])[H:82]):[C:23]:2:[N:24]:1[H:83])[H:84]

Derived Operators

EVODEX.1-F387 - Elemental Balance

P	-2
O	-9
C	-10
N	-5
H	-15

EVODEX.1-M155 - Mass Difference

-411.03465

EVODEX.1-E1188 - Reaction Operator E

[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:50](=[#8:51])(-[#8:52])-[#8:53])(-[H])-[H])(-[H])-[#8]-1)(-[H])-[H].[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15:50](=[#8:51])(-[#8:52])-[#8:53]

EVODEX.1-C876 - Reaction Operator C

EVODEX.1-N1231 - Reaction Operator N

[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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]-[#15:50](=[#8:51])(-[#8:52])-[#8:53].([H]-[#8:17]-[#15:15].[#8:22]-[#6@:21](-[#6@:10])(-[H:82])-[#6@@:19](-[#6@@:12])(-[#8:20])-[H:80])>>([#15:15]-[#8:17]-[#15:50](=[#8:51])(-[#8:52])-[#8:53].[#8:20]-[#6@@:19](-[#6@@:12])(-[H:80])-[#6@:21](-[#6@:10])(-[#8:22])-[H:82])

EVODEX.1-Em31 - Reaction Operator Em

[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]

EVODEX.1-Cm9 - Reaction Operator Cm

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

EVODEX.1-Nm32 - Reaction Operator Nm

[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]

Source Full Reactions

EVODEX.1-R4310

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