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:33](=[O:34])([O:35][H:46])[O:36][H:47].[H][N:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:70])[N:3]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[N:1](=[C:2]([N:3]([H:57])[H:58])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([P:33](=[O:34])([O:35][H:46])[O:36][H:47])[H:59])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70]
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
[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](=[#8:35])(-[#8:36])-[#8:37].[H]-[#7:3](-[#6:2])-[H:58]>>[#6:2]-[#7:3](-[#15:34](=[#8:35])(-[#8:36])-[#8:37])-[H:58]
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-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-R4195
[N:10]([C:11]1:[N:12]:[C:13]([H:41]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:42]):[N:19]:2[C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:44])[O:28][P:29](=[O:30])([O:31][H:45])[O:32][P:33](=[O:34])([O:35][H:46])[O:36][H:47])([H:48])[H:49])([H:50])[C@:37]([O:38][H:51])([H:52])[C@:39]1([O:40][H:53])[H:54])([H:55])[H:56].[H][N:9]([C:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:70])[N:3]([H:57])[H:58])[H:69])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])[H:59]>>[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:50])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:41]):[N:12]:[C:11]([N:10]([H:55])[H:56]):[C:16]:3:[N:17]:[C:18]:2[H:42])([H:43])[C@@:39]([O:40][H:53])([H:54])[C@@:37]1([O:38][H:51])[H:52])([H:48])[H:49])(=[O:26])[O:27][H:44])(=[O:30])[O:31][H:45].[N:1](=[C:2]([N:3]([H:57])[H:58])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([P:33](=[O:34])([O:35][H:46])[O:36][H:47])[H:59])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])[H:69])[H:70]