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:32](=[O:33])(=[O:34])[O:35][H:48])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]([O:4][H:59])([C:5]1:[C:6]([H:60]):[C:7]([H:61]):[C:8]([O:9][H:62]):[C:10]([O:11][H:63]):[C:12]:1[H:64])[H:65])([H:66])[H:67])[H:68]>>[N:1]([C:2]([C@:3]([O:4][H:59])([C:5]1:[C:6]([H:60]):[C:7]([H:61]):[C:8]([O:9][H:62]):[C:10]([O:11][H:63]):[C:12]:1[H:64])[H:65])([H:66])[H:67])([S:32](=[O:33])(=[O:34])[O:35][H:48])[H:68]
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-R4629
[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][S:32](=[O:33])(=[O:34])[O:35][H:48])([H:49])[H:50])([H:51])[C@:36]([O:37][P:38](=[O:39])([O:40][H:52])[O:41][H:53])([H:54])[C@:42]1([O:43][H:55])[H:56])([H:57])[H:58].[H][N:1]([C:2]([C@:3]([O:4][H:59])([C:5]1:[C:6]([H:60]):[C:7]([H:61]):[C:8]([O:9][H:62]):[C:10]([O:11][H:63]):[C:12]:1[H:64])[H:65])([H:66])[H:67])[H:68]>>[H][O:31][P:28]([O:27][C:26]([C@@:25]1([H:51])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:57])[H:58]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:55])([H:56])[C@@:36]1([O:37][P:38](=[O:39])([O:40][H:52])[O:41][H:53])[H:54])([H:49])[H:50])(=[O:29])[O:30][H:47].[N:1]([C:2]([C@:3]([O:4][H:59])([C:5]1:[C:6]([H:60]):[C:7]([H:61]):[C:8]([O:9][H:62]):[C:10]([O:11][H:63]):[C:12]:1[H:64])[H:65])([H:66])[H:67])([S:32](=[O:33])(=[O:34])[O:35][H:48])[H:68]