SMIRKS
[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@@:19]1([H:53])[O:20][C@@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][H:58])([H:59])[C@@:26]([O:27][H:60])([H:61])[C@:28]1([O:29][H:62])[H:63].[H][S:40][C:39](=[N:38][O:37][H:80])[C:41]([C:42]1:[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]:1[H:77])([H:78])[H:79]>>[C@@:19]1([S:40][C:39](=[N:38][O:37][H:80])[C:41]([C:42]2:[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]:2[H:77])([H:78])[H:79])([H:53])[O:20][C@@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][H:58])([H:59])[C@@:26]([O:27][H:60])([H:61])[C@:28]1([O:29][H:62])[H:63]
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-R3051
[O:1]=[C:2]1:[C:3]([H:48]):[C:4]([H:49]):[N:5]([C@:6]2([H:50])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:51])[O:14][P:15](=[O:16])([O:17][H:52])[O:18][C@@:19]3([H:53])[O:20][C@@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][H:58])([H:59])[C@@:26]([O:27][H:60])([H:61])[C@:28]3([O:29][H:62])[H:63])([H:64])[H:65])([H:66])[C@:30]([O:31][H:67])([H:68])[C@:32]2([O:33][H:69])[H:70]):[C:34](=[O:35]):[N:36]:1[H:71].[H][S:40][C:39](=[N:38][O:37][H:80])[C:41]([C:42]1:[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]:1[H:77])([H:78])[H:79]>>[C@@:19]1([S:40][C:39](=[N:38][O:37][H:80])[C:41]([C:42]2:[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]:2[H:77])([H:78])[H:79])([H:53])[O:20][C@@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[C@:24]([O:25][H:58])([H:59])[C@@:26]([O:27][H:60])([H:61])[C@:28]1([O:29][H:62])[H:63].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:66])[O:7][C@:6]([N:5]2:[C:4]([H:49]):[C:3]([H:48]):[C:2](=[O:1]):[N:36]([H:71]):[C:34]:2=[O:35])([H:50])[C@@:32]([O:33][H:69])([H:70])[C@@:30]1([O:31][H:67])[H:68])([H:64])[H:65])(=[O:12])[O:13][H:51])(=[O:16])[O:17][H:52]