SMIRKS
[O:28]=[S:29](=[O:30])([O:31][H:64])[O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])O[S:29](=[O:28])(=[O:30])[O:31][H:64])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]
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-R4636
[H][O:18][P:16]([O:15][C:14]([C@@:13]1([H:56])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:49]):[N:3]:[C:2]([N:1]([H:62])[H:63]):[C:7]:3:[N:8]:[C:9]:2[H:50])([H:51])[C@@:26]([O:27][H:60])([H:61])[C@@:20]1([O:21][P:22](=[O:23])([O:24][H:57])[O:25][H:58])[H:59])([H:54])[H:55])(=[O:17])[O:19][H:53].[O:28]=[S:29](=[O:30])([O:31][H:64])[O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]>>[N:1]([C:2]1:[N:3]:[C:4]([H:49]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:50]):[N:10]:2[C@:11]1([H:51])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][S:29](=[O:28])(=[O:30])[O:31][H:64])[O:19][H:53])([H:54])[H:55])([H:56])[C@:20]([O:21][P:22](=[O:23])([O:24][H:57])[O:25][H:58])([H:59])[C@:26]1([O:27][H:60])[H:61])([H:62])[H:63].[H][O:32][C:33]1:[C:34]([H:65]):[C:35]2:[O:36]:[C:37]3:[C:38]([H:66]):[C:39]([Cl:40]):[C:41]([Cl:42]):[C:43]([H:67]):[C:44]:3:[C:45]:2:[C:46]([H:68]):[C:47]:1[Cl:48]