SMIRKS
[H]O[C:7]([C@:5]([C:4]([C:2]([C:1]([H:56])([H:57])[H:58])([C:3]([H:46])([H:47])[H:48])[H:55])([H:53])[H:54])([N:6]([H:49])[H:50])[H:52])=[O:8].[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:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70]>>[H]OC(=O)C([H])([H])N([H])[C:7]([C@:5]([C:4]([C:2]([C:1]([H:56])([H:57])[H:58])([C:3]([H:46])([H:47])[H:48])[H:55])([H:53])[H:54])([N:6]([H:49])[H:50])[H:52])=[O:8].[H][O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70]
Derived Operators
EVODEX.1-F456 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -8 |
| N | -4 |
| H | -10 |
EVODEX.1-M439 - Mass Difference
-351.9975
EVODEX.1-E1265 - 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])-[#8:72]-[#15:73])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:72](-[#15:73])-[H]
EVODEX.1-C817 - Reaction Operator C
[H]-[#8]-[#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]-[#15](=[#8])(-[#8]-[H])-[#8:72]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42].[H]-[#8:72]
EVODEX.1-N1028 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43].[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])-[#8:72]-[#15:73]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43].[H]-[#8:72]-[#15:73]
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-R7853
[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C@:5]([N:6]([H:49])[H:50])([C:7](=[O:8])[O:9][H:51])[H:52])([H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][N:10]([C:11]([C:12](=[O:13])[O:14][H:59])([H:60])[H:61])[H:62].[N:15]([C:16]1:[N:17]:[C:18]([H:64]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:65]):[N:24]:2[C@:25]1([H:66])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:67])[O:33][P:34](=[O:35])([O:36][H:68])[O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70])([H:71])[H:72])([H:73])[C@:42]([O:43][H:74])([H:75])[C@:44]1([O:45][H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C@:5]([N:6]([H:49])[H:50])([C:7](=[O:8])[N:10]([C:11]([C:12](=[O:13])[O:14][H:59])([H:60])[H:61])[H:62])[H:52])([H:53])[H:54])[H:55])([H:56])([H:57])[H:58].[H][O:37][P:38](=[O:39])([O:40][H:69])[O:41][H:70].[O:9]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:73])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:64]):[N:17]:[C:16]([N:15]([H:78])[H:79]):[C:21]:3:[N:22]:[C:23]:2[H:65])([H:66])[C@@:44]([O:45][H:76])([H:77])[C@@:42]1([O:43][H:74])[H:75])([H:71])[H:72])(=[O:31])[O:32][H:67])(=[O:35])[O:36][H:68])[H:51]