SMIRKS
[C:1]([O:2][S:3](=[O:4])(=[O:5])[O:6][H:34])([H:35])([H:36])[H:37]>>[H][O:2][C:1]([H:35])([H:36])[H:37].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:3](=[O:4])(=[O:5])[O:6][H:34])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1180 - Reaction Operator E
[#6:34]-[#8:35]-[#16:36](=[#8:37])(=[#8:38])-[#8:39]>>[#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]-[#16:36](=[#8:37])(=[#8:38])-[#8:39])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:34]-[#8:35]-[H]
EVODEX.1-C892 - Reaction Operator C
[#16:29]-[#8:32]>>[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]-[#16:29])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:32]
EVODEX.1-N1114 - Reaction Operator N
[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[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]-[#16:29](=[#8:28])(=[#8:30])-[#8:31])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:32]-[#6:33]
EVODEX.1-Em570 - Reaction Operator Em
[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15]-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]
EVODEX.1-Nm516 - Reaction Operator Nm
[#8:28]=[#16:29](=[#8:30])(-[#8:31])-[#8:32]-[#6:33]>>[#15]-[#8]-[#16:29](=[#8:28])(=[#8:30])-[#8:31].[H]-[#8:32]-[#6:33]
Source Full Reactions
EVODEX.1-R4578
[C:1]([O:2][S:3](=[O:4])(=[O:5])[O:6][H:34])([H:35])([H:36])[H:37].[H][O:24][P:22]([O:21][C:20]([C@@:19]1([H:45])[O:18][C@:17]([N:16]2:[C:12]3:[N:11]:[C:10]([H:38]):[N:9]:[C:8]([N:7]([H:51])[H:52]):[C:13]:3:[N:14]:[C:15]:2[H:39])([H:40])[C@@:32]([O:33][H:49])([H:50])[C@@:26]1([O:27][P:28](=[O:29])([O:30][H:46])[O:31][H:47])[H:48])([H:43])[H:44])(=[O:23])[O:25][H:42]>>[H][O:2][C:1]([H:35])([H:36])[H:37].[S:3](=[O:4])(=[O:5])([O:6][H:34])[O:24][P:22]([O:21][C:20]([C@@:19]1([H:45])[O:18][C@:17]([N:16]2:[C:12]3:[N:11]:[C:10]([H:38]):[N:9]:[C:8]([N:7]([H:51])[H:52]):[C:13]:3:[N:14]:[C:15]:2[H:39])([H:40])[C@@:32]([O:33][H:49])([H:50])[C@@:26]1([O:27][P:28](=[O:29])([O:30][H:46])[O:31][H:47])[H:48])([H:43])[H:44])(=[O:23])[O:25][H:42]