SMIRKS
[H][S:7][C:6]([C:5]([C:4]([C:2]([C:1]([H:54])([H:55])[H:56])([S:3][H:46])[H:53])([H:51])[H:52])([H:49])[H:50])=[N:8][O:9][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@@:28]1([H:62])[O:29][C@@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[C@:33]([O:34][H:67])([H:68])[C@@:35]([O:36][H:69])([H:70])[C@:37]1([O:38][H:71])[H:72]>>[C:1]([C:2]([S:3][H:46])([C:4]([C:5]([C:6]([S:7][C@@:28]1([H:62])[O:29][C@@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[C@:33]([O:34][H:67])([H:68])[C@@:35]([O:36][H:69])([H:70])[C@:37]1([O:38][H:71])[H:72])=[N:8][O:9][H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56]
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-R3057
[H][S:7][C:6]([C:5]([C:4]([C:2]([C:1]([H:54])([H:55])[H:56])([S:3][H:46])[H:53])([H:51])[H:52])([H:49])[H:50])=[N:8][O:9][H:48].[O:10]=[C:11]1:[C:12]([H:57]):[C:13]([H:58]):[N:14]([C@:15]2([H:59])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:60])[O:23][P:24](=[O:25])([O:26][H:61])[O:27][C@@:28]3([H:62])[O:29][C@@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[C@:33]([O:34][H:67])([H:68])[C@@:35]([O:36][H:69])([H:70])[C@:37]3([O:38][H:71])[H:72])([H:73])[H:74])([H:75])[C@:39]([O:40][H:76])([H:77])[C@:41]2([O:42][H:78])[H:79]):[C:43](=[O:44]):[N:45]:1[H:80]>>[C:1]([C:2]([S:3][H:46])([C:4]([C:5]([C:6]([S:7][C@@:28]1([H:62])[O:29][C@@:30]([C:31]([O:32][H:63])([H:64])[H:65])([H:66])[C@:33]([O:34][H:67])([H:68])[C@@:35]([O:36][H:69])([H:70])[C@:37]1([O:38][H:71])[H:72])=[N:8][O:9][H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])([H:55])[H:56].[H][O:27][P:24]([O:23][P:20]([O:19][C:18]([C@@:17]1([H:75])[O:16][C@:15]([N:14]2:[C:13]([H:58]):[C:12]([H:57]):[C:11](=[O:10]):[N:45]([H:80]):[C:43]:2=[O:44])([H:59])[C@@:41]([O:42][H:78])([H:79])[C@@:39]1([O:40][H:76])[H:77])([H:73])[H:74])(=[O:21])[O:22][H:60])(=[O:25])[O:26][H:61]