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:61])[O:44][H:62].[H]O[C:8]([C@:6]([C:5]([C:4]([C:2]([N:1]([H:80])[H:81])=[O:3])([H:78])[H:79])([H:76])[H:77])([N:7]([H:72])[H:73])[H:75])=[O:9]>>[H]OC(=O)[C@@]([H])(N([H])[C:8]([C@:6]([C:5]([C:4]([C:2]([N:1]([H:80])[H:81])=[O:3])([H:78])[H:79])([H:76])[H:77])([N:7]([H:72])[H:73])[H:75])=[O:9])C([H])([H])O[H].[H][O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62]
Derived Operators
EVODEX.1-F447 - Elemental Balance
| P | -2 |
| O | -7 |
| C | -7 |
| N | -4 |
| H | -8 |
EVODEX.1-M430 - Mass Difference
-321.98694
EVODEX.1-E1256 - 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])-[#8:74]-[#15:75])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:74](-[#15:75])-[H]
EVODEX.1-C838 - Reaction Operator C
[H]-[#8]-[#6:6].[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])-[#8:38]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:38]
EVODEX.1-N1049 - Reaction Operator N
[H]-[#8]-[#6:6](-[#6@:4])=[#8:7].[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])-[#8:38]-[#15:39]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6](-[#6@:4])=[#8:7])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:38]-[#15:39]
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-R7766
[H][N:11]([C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54].[N:18]([C:19]1:[N:20]:[C:21]([H:56]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:57]):[N:27]:2[C@:28]1([H:58])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:59])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62])([H:63])[H:64])([H:65])[C@:45]([O:46][H:66])([H:67])[C@:47]1([O:48][H:68])[H:69])([H:70])[H:71].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:72])[H:73])([C:8](=[O:9])[O:10][H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:72])[H:73])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54])[H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81].[O:10]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:65])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:56]):[N:20]:[C:19]([N:18]([H:70])[H:71]):[C:24]:3:[N:25]:[C:26]:2[H:57])([H:58])[C@@:47]([O:48][H:68])([H:69])[C@@:45]1([O:46][H:66])[H:67])([H:63])[H:64])(=[O:34])[O:35][H:59])(=[O:38])[O:39][H:60])[H:74].[H][O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62]