SMIRKS
[H][N:1]([C@@:2]([C:3]([O:4][H:50])([H:51])[H:52])([C:5](=[O:6])[O:7][H:53])[H:54])[H:55].[O:39]=[C:40]([O:41][H:73])[C:42]1:[C:43]([H:74]):[C:44]([H:75]):[C:45]([H:76]):[C:46]([O:47][H:77]):[C:48]:1[O:49][H:78]>>[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:41][H:73].[N:1]([C@@:2]([C:3]([O:4][H:50])([H:51])[H:52])([C:5](=[O:6])[O:7][H:53])[H:54])([C:40](=[O:39])[C:42]1:[C:43]([H:74]):[C:44]([H:75]):[C:45]([H:76]):[C:46]([O:47][H:77]):[C:48]:1[O:49][H:78])[H:55]
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-R7595
[H][N:1]([C@@:2]([C:3]([O:4][H:50])([H:51])[H:52])([C:5](=[O:6])[O:7][H:53])[H:54])[H:55].[N:8]([C:9]1:[N:10]:[C:11]([H:57]):[N:12]:[C:13]2:[C:14]:1:[N:15]:[C:16]([H:58]):[N:17]:2[C@:18]1([H:59])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:60])[O:26][P:27](=[O:28])([O:29][H:61])[O:30][P:31](=[O:32])([O:33][H:62])[O:34][H:63])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@:37]1([O:38][H:69])[H:70])([H:71])[H:72].[O:39]=[C:40]([O:41][H:73])[C:42]1:[C:43]([H:74]):[C:44]([H:75]):[C:45]([H:76]):[C:46]([O:47][H:77]):[C:48]:1[O:49][H:78]>>[N:8]([C:9]1:[N:10]:[C:11]([H:57]):[N:12]:[C:13]2:[C:14]:1:[N:15]:[C:16]([H:58]):[N:17]:2[C@:18]1([H:59])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:60])[O:41][H:73])([H:64])[H:65])([H:66])[C@:35]([O:36][H:67])([H:68])[C@:37]1([O:38][H:69])[H:70])([H:71])[H:72].[N:1]([C@@:2]([C:3]([O:4][H:50])([H:51])[H:52])([C:5](=[O:6])[O:7][H:53])[H:54])([C:40](=[O:39])[C:42]1:[C:43]([H:74]):[C:44]([H:75]):[C:45]([H:76]):[C:46]([O:47][H:77]):[C:48]:1[O:49][H:78])[H:55].[H][O:26][P:27](=[O:28])([O:29][H:61])[O:30][P:31](=[O:32])([O:33][H:62])[O:34][H:63]