EVODEX.1-P3502 - 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:36](=[O:37])([O:38][H:49])[O:39][H:50].[H][N:3]([C:2](=[N:1][H:73])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:62])[H:63])([C:10](=[O:11])[O:12][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:60]>>[N:1](=[C:2]([N:3]([P:36](=[O:37])([O:38][H:49])[O:39][H:50])[H:60])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:62])[H:63])([C:10](=[O:11])[O:12][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73]

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-R4196

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