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:33](=[O:34])(=[O:35])[O:36][H:49])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:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])[H:70]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])([S:33](=[O:34])(=[O:35])[O:36][H:49])[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-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-R4630
[N:14]([C:15]1:[N:16]:[C:17]([H:45]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:46]):[N:23]:2[C@:24]1([H:47])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:48])[O:32][S:33](=[O:34])(=[O:35])[O:36][H:49])([H:50])[H:51])([H:52])[C@:37]([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])([H:55])[C@:43]1([O:44][H:56])[H:57])([H:58])[H:59].[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])[H:70]>>[H][O:32][P:29]([O:28][C:27]([C@@:26]1([H:52])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:45]):[N:16]:[C:15]([N:14]([H:58])[H:59]):[C:20]:3:[N:21]:[C:22]:2[H:46])([H:47])[C@@:43]([O:44][H:56])([H:57])[C@@:37]1([O:38][P:39](=[O:40])([O:41][H:53])[O:42][H:54])[H:55])([H:50])[H:51])(=[O:30])[O:31][H:48].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:60]):[N:6]([H:61]):[C:7]2:[C:8]([H:62]):[C:9]([H:63]):[C:10]([O:11][H:64]):[C:12]([H:65]):[C:13]:1:2)([H:66])[H:67])([H:68])[H:69])([S:33](=[O:34])(=[O:35])[O:36][H:49])[H:70]