EVODEX.1-P3505 - Partial Reaction

SMIRKS

[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:34](=[O:35])([O:36][H:47])[O:37][H:48].[H][N:3]([C:2](=[N:1][H:66])[N:4]([C:5]([C:6]([S:7](=[O:8])(=[O:9])[O:10][H:60])([H:61])[H:62])([H:63])[H:64])[H:65])[H:58]>>[N:1](=[C:2]([N:3]([P:34](=[O:35])([O:36][H:47])[O:37][H:48])[H:58])[N:4]([C:5]([C:6]([S:7](=[O:8])(=[O:9])[O:10][H:60])([H:61])[H:62])([H:63])[H:64])[H:65])[H:66]

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-E757 - Reaction Operator E

[#6:10]-[#7:12](-[H:46])-[H].[#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]-[#15:36](=[#8:37])(-[#8:38])-[#8:39])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:10]-[#7:12](-[#15:36](=[#8:37])(-[#8:38])-[#8:39])-[H:46]

EVODEX.1-C884 - 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]-[#15:34].[H]-[#7:3]>>[#7:3]-[#15:34]

EVODEX.1-N1106 - Reaction Operator N

EVODEX.1-Em559 - Reaction Operator Em

[H]-[#7:16]-[#6:14].[#15]-[#8]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>[#6:14]-[#7:16]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]

EVODEX.1-Cm252 - Reaction Operator Cm

[H]-[#7:16].[#8]-[#15:43]>>[#7:16]-[#15:43]

EVODEX.1-Nm505 - Reaction Operator Nm

[H]-[#7:16]-[#6:14].[#15]-[#8]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>[#6:14]-[#7:16]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]

Source Full Reactions

EVODEX.1-R4199

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