SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66].[H]O[C:15]([C@:13]([C:12]([C:10]([N:9]([H:82])[H:83])=[O:11])([H:80])[H:81])([N:14]([H:76])[H:77])[H:79])=[O:16]>>[H]OC(=O)[C@@]([H])(N([H])[C:15]([C@:13]([C:12]([C:10]([N:9]([H:82])[H:83])=[O:11])([H:80])[H:81])([N:14]([H:76])[H:77])[H:79])=[O:16])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66]
Derived Operators
EVODEX.1-F558 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -5 |
| N | -4 |
| H | -4 |
EVODEX.1-M526 - Mass Difference
-309.95052
EVODEX.1-E1381 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H].[#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]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:75]-[#15:76])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:75](-[#15:76])-[H]
EVODEX.1-C827 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:42].[H]-[#8]-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]
EVODEX.1-N1038 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:42]-[#15:43].[H]-[#8]-[#6:17](-[#6@@:10])=[#8:18]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:10])=[#8:18])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]-[#15:43]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7756
[H][N:5]([C@@:4]([C:2]([C:1]([H:57])([H:58])[H:59])([C:3]([H:49])([H:50])[H:51])[H:56])([C:6](=[O:7])[O:8][H:54])[H:55])[H:52].[N:18]([C:19]1:[N:20]:[C:21]([H:60]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:61]):[N:27]:2[C@:28]1([H:62])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:63])[O:36][P:37](=[O:38])([O:39][H:64])[O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66])([H:67])[H:68])([H:69])[C@:45]([O:46][H:70])([H:71])[C@:47]1([O:48][H:72])[H:73])([H:74])[H:75].[N:9]([C:10](=[O:11])[C:12]([C@:13]([N:14]([H:76])[H:77])([C:15](=[O:16])[O:17][H:78])[H:79])([H:80])[H:81])([H:82])[H:83]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])([C@:4]([N:5]([C:15]([C@:13]([C:12]([C:10]([N:9]([H:82])[H:83])=[O:11])([H:80])[H:81])([N:14]([H:76])[H:77])[H:79])=[O:16])[H:52])([C:6](=[O:7])[O:8][H:54])[H:55])[H:56])([H:57])([H:58])[H:59].[O:17]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:69])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:60]):[N:20]:[C:19]([N:18]([H:74])[H:75]):[C:24]:3:[N:25]:[C:26]:2[H:61])([H:62])[C@@:47]([O:48][H:72])([H:73])[C@@:45]1([O:46][H:70])[H:71])([H:67])[H:68])(=[O:34])[O:35][H:63])(=[O:38])[O:39][H:64])[H:78].[H][O:40][P:41](=[O:42])([O:43][H:65])[O:44][H:66]