SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:30](=[O:31])(=[O:32])[O:33][H:46])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:57]):[C:6]([H:58]):[C:7]([O:8][H:59]):[C:9]([H:60]):[C:10]:1[H:61])([H:62])[H:63])([H:64])[H:65])[H:66]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:57]):[C:6]([H:58]):[C:7]([O:8][H:59]):[C:9]([H:60]):[C:10]:1[H:61])([H:62])[H:63])([H:64])[H:65])([S:30](=[O:31])(=[O:32])[O:33][H:46])[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-E758 - 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]-[#16:33](=[#8:34])(=[#8:35])-[#8:36])(-[H])-[H])(-[H])-[#6@](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]
EVODEX.1-C483 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#16:33])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#7:1]>>[#7:1]-[#16:33]
EVODEX.1-N593 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#7:1](-[#6:2])-[H:70]>>[#7:1](-[#6:2])(-[#16:33](=[#8:34])(=[#8:35])-[#8:36])-[H:70]
EVODEX.1-Em572 - Reaction Operator Em
[#15]-[#8]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]
EVODEX.1-Nm518 - Reaction Operator Nm
[#15]-[#8]-[#16:33](=[#8:34])(=[#8:35])-[#8:36].[H]-[#7:1]-[#6:2]>>[#7:1](-[#6:2])-[#16:33](=[#8:34])(=[#8:35])-[#8:36]
Source Full Reactions
EVODEX.1-R4628
[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][S:30](=[O:31])(=[O:32])[O:33][H:46])([H:47])[H:48])([H:49])[C@:34]([O:35][P:36](=[O:37])([O:38][H:50])[O:39][H:51])([H:52])[C@:40]1([O:41][H:53])[H:54])([H:55])[H:56].[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:57]):[C:6]([H:58]):[C:7]([O:8][H:59]):[C:9]([H:60]):[C:10]:1[H:61])([H:62])[H:63])([H:64])[H:65])[H:66]>>[H][O:29][P:26]([O:25][C:24]([C@@:23]1([H:49])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:42]):[N:13]:[C:12]([N:11]([H:55])[H:56]):[C:17]:3:[N:18]:[C:19]:2[H:43])([H:44])[C@@:40]([O:41][H:53])([H:54])[C@@:34]1([O:35][P:36](=[O:37])([O:38][H:50])[O:39][H:51])[H:52])([H:47])[H:48])(=[O:27])[O:28][H:45].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:57]):[C:6]([H:58]):[C:7]([O:8][H:59]):[C:9]([H:60]):[C:10]:1[H:61])([H:62])[H:63])([H:64])[H:65])([S:30](=[O:31])(=[O:32])[O:33][H:46])[H:66]