SMIRKS
[H][S:5][C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:44])([H:45])[H:46])[H:49])=[N:6][O:7][H:48].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]1([O:36][H:67])[H:68]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])([C:4]([S:5][C@@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]1([O:36][H:67])[H:68])=[N:6][O:7][H:48])[H:49])([H:50])([H:51])[H:52]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1112 - Reaction Operator E
[#16:22](-[#6@:21])-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:43](-[H:84])(-[#8:44])-[#6@:52])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#16:22](-[#6@:21])-[#6@:43](-[H:84])(-[#8:44])-[#6@:52]
EVODEX.1-C382 - Reaction Operator C
[H]-[#16:7].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:28]>>[#16:7]-[#6@@:28]
EVODEX.1-N453 - Reaction Operator N
[H]-[#16:7]-[#6:6].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:28](-[H:62])(-[#8:29])-[#6@:37]>>[#6:6]-[#16:7]-[#6@@:28](-[H:62])(-[#8:29])-[#6@:37]
EVODEX.1-Em497 - Reaction Operator Em
[H]-[#16:7]-[#6:6].[#15]-[#8]-[#6:28](-[#8:29])-[#6:37]>>[#6:6]-[#16:7]-[#6:28](-[#8:29])-[#6:37]
EVODEX.1-Nm448 - Reaction Operator Nm
[H]-[#16:7]-[#6:6].[#15]-[#8]-[#6:28](-[#8:29])-[#6:37]>>[#6:6]-[#16:7]-[#6:28](-[#8:29])-[#6:37]
Source Full Reactions
EVODEX.1-R3056
[H][S:5][C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:44])([H:45])[H:46])[H:49])=[N:6][O:7][H:48].[O:8]=[C:9]1:[C:10]([H:53]):[C:11]([H:54]):[N:12]([C@:13]2([H:55])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:56])[O:21][P:22](=[O:23])([O:24][H:57])[O:25][C@@:26]3([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]3([O:36][H:67])[H:68])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]2([O:40][H:74])[H:75]):[C:41](=[O:42]):[N:43]:1[H:76]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])([C:4]([S:5][C@@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]1([O:36][H:67])[H:68])=[N:6][O:7][H:48])[H:49])([H:50])([H:51])[H:52].[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@@:15]1([H:71])[O:14][C@:13]([N:12]2:[C:11]([H:54]):[C:10]([H:53]):[C:9](=[O:8]):[N:43]([H:76]):[C:41]:2=[O:42])([H:55])[C@@:39]([O:40][H:74])([H:75])[C@@:37]1([O:38][H:72])[H:73])([H:69])[H:70])(=[O:19])[O:20][H:56])(=[O:23])[O:24][H:57]