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@:6]1([H:59])[C@@:5]([N:4]([C:2]([C:1]([H:69])([H:70])[H:71])=[O:3])[H:68])([H:45])[C@:38]([O:39][H:66])([H:67])[C@@:36]([O:37][H:64])([H:65])[C@:33]([C:34]([O:35][H:60])([H:61])[H:62])([H:63])[O:32]1.[H][O:42][P:41](=[O:40])([O:43][H:73])[O:44][H:74]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@:6]([O:42][P:41](=[O:40])([O:43][H:73])[O:44][H:74])([H:59])[O:32][C@@:33]([C:34]([O:35][H:60])([H:61])[H:62])([H:63])[C@:36]([O:37][H:64])([H:65])[C@@:38]1([O:39][H:66])[H:67])[H:68])([H:69])([H:70])[H:71]
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-E1113 - Reaction Operator E
[#8](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:41]-[#8:42]-[H]>>[#8:42](-[#6@@:6](-[#6@@:5])(-[H:59])-[#8:32])-[#15:41]
EVODEX.1-C377 - Reaction Operator C
([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@:6].[#6@:38]-[#6@@:36]-[#6@:33]).[H]-[#8:42]>>([#8:42]-[#6@:6].[#6@@:33]-[#6@:36]-[#6@@:38])
EVODEX.1-N1310 - Reaction Operator N
[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@:6]1(-[H:59])-[#6@@:5]-[#6@:38](-[#8:39])(-[H:67])-[#6@@:36](-[#8:37])(-[H:65])-[#6@:33](-[#6:34])(-[H:63])-[#8:32]-1.[H]-[#8:42]-[#15:41]>>[#8:42](-[#6@@:6]1(-[#6@@:5]-[#6@:38](-[#6@@:36](-[#6@:33](-[#8:32]-1)(-[#6:34])-[H:63])(-[#8:37])-[H:65])(-[#8:39])-[H:67])-[H:59])-[#15:41]
EVODEX.1-Em99 - Reaction Operator Em
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
EVODEX.1-Nm132 - Reaction Operator Nm
[#15]-[#8]-[#6:6](-[#6:5])-[#8:32].[H]-[#8:42]-[#15:41]>>[#6:5]-[#6:6](-[#8:42]-[#15:41])-[#8:32]
Source Full Reactions
EVODEX.1-R4422
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@:6]([O:7][P:8](=[O:9])([O:10][H:46])[O:11][P:12](=[O:13])([O:14][H:47])[O:15][C:16]([C@@:17]2([H:48])[O:18][C@:19]([N:20]3:[C:21]([H:49]):[C:22]([H:50]):[C:23](=[O:24]):[N:25]([H:51]):[C:26]:3=[O:27])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@@:30]2([O:31][H:55])[H:56])([H:57])[H:58])([H:59])[O:32][C@@:33]([C:34]([O:35][H:60])([H:61])[H:62])([H:63])[C@:36]([O:37][H:64])([H:65])[C@@:38]1([O:39][H:66])[H:67])[H:68])([H:69])([H:70])[H:71].[H][O:42][P:41](=[O:40])([O:43][H:73])[O:44][H:74]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@:6]([O:42][P:41](=[O:40])([O:43][H:73])[O:44][H:74])([H:59])[O:32][C@@:33]([C:34]([O:35][H:60])([H:61])[H:62])([H:63])[C@:36]([O:37][H:64])([H:65])[C@@:38]1([O:39][H:66])[H:67])[H:68])([H:69])([H:70])[H:71].[H][O:7][P:8](=[O:9])([O:10][H:46])[O:11][P:12](=[O:13])([O:14][H:47])[O:15][C:16]([C@@:17]1([H:48])[O:18][C@:19]([N:20]2:[C:21]([H:49]):[C:22]([H:50]):[C:23](=[O:24]):[N:25]([H:51]):[C:26]:2=[O:27])([H:52])[C@@:28]([O:29][H:53])([H:54])[C@@:30]1([O:31][H:55])[H:56])([H:57])[H:58]