SMIRKS
[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][N:7]([C@@:8]([C:9]([C:10]1:[N:11]:[C:12]([H:72]):[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C:10]1:[N:11]:[C:12]([H:72]):[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[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])[O:6][H:65]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E735 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8:197]-[H:374])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#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])-[#8:197]-[H:374])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C933 - Reaction Operator C
[H]-[#7:1].[#6:40]-[#8:41]>>[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])-[#8:41].[#7:1]-[#6:40]
EVODEX.1-N1166 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:55].[#8:39]=[#6:40](-[#8:41]-[H:73])-[#6:42]>>[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])-[#8:41]-[H:73].[#7:1](-[#6@@:2])(-[#6:40](=[#8:39])-[#6:42])-[H:55]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7575
[N:18]([C:19]1:[N:20]:[C:21]([H:49]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:50]):[N:27]:2[C@:28]1([H:51])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:52])[O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55])([H:56])[H:57])([H:58])[C@:45]([O:46][H:59])([H:60])[C@:47]1([O:48][H:61])[H:62])([H:63])[H:64].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][N:7]([C@@:8]([C:9]([C:10]1:[N:11]:[C:12]([H:72]):[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:7]([C@@:8]([C:9]([C:10]1:[N:11]:[C:12]([H:72]):[C:13]([H:73]):[N:14]:1[H:74])([H:75])[H:76])([C:15](=[O:16])[O:17][H:77])[H:78])[H:79])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[H][O:36][P:37](=[O:38])([O:39][H:53])[O:40][P:41](=[O:42])([O:43][H:54])[O:44][H:55].[O:6]([P:33]([O:32][C:31]([C@@:30]1([H:58])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:49]):[N:20]:[C:19]([N:18]([H:63])[H:64]):[C:24]:3:[N:25]:[C:26]:2[H:50])([H:51])[C@@:47]([O:48][H:61])([H:62])[C@@:45]1([O:46][H:59])[H:60])([H:56])[H:57])(=[O:34])[O:35][H:52])[H:65]