SMIRKS
[H]O[C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14].[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:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]>>[H]OC(=O)[C@@]([H])(N([H])[C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]
Derived Operators
EVODEX.1-F452 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -4 |
| N | -4 |
| H | -2 |
EVODEX.1-M435 - Mass Difference
-295.93486
EVODEX.1-E1261 - 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])-[#8:76]-[#15:77])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:76](-[#15:77])-[H]
EVODEX.1-C835 - Reaction Operator C
[H]-[#8]-[#6:22].[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])-[#8:47]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:47]
EVODEX.1-N1046 - Reaction Operator N
[H]-[#8]-[#6:22](-[#6@@:11])=[#8:23].[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])-[#8:47]-[#15:48]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22](-[#6@@:11])=[#8:23])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:47]-[#15:48]
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-R7769
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:57])([H:58])[H:59])([H:55])[H:56])([C:4]([H:47])([H:48])[H:49])[H:54])([C:7](=[O:8])[O:9][H:52])[H:53])[H:50].[N:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66].[N:16]([C:17]1:[N:18]:[C:19]([H:67]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:68]):[N:25]:2[C@:26]1([H:69])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:70])[O:34][P:35](=[O:36])([O:37][H:71])[O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73])([H:74])[H:75])([H:76])[C@:43]([O:44][H:77])([H:78])[C@:45]1([O:46][H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2]([C@:3]([C:4]([H:47])([H:48])[H:49])([C@:5]([N:6]([C:13]([C:12]([C:11]([N:10]([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])=[O:14])[H:50])([C:7](=[O:8])[O:9][H:52])[H:53])[H:54])([H:55])[H:56])([H:57])([H:58])[H:59].[O:15]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:76])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:67]):[N:18]:[C:17]([N:16]([H:81])[H:82]):[C:22]:3:[N:23]:[C:24]:2[H:68])([H:69])[C@@:45]([O:46][H:79])([H:80])[C@@:43]1([O:44][H:77])[H:78])([H:74])[H:75])(=[O:32])[O:33][H:70])(=[O:36])[O:37][H:71])[H:60].[H][O:38][P:39](=[O:40])([O:41][H:72])[O:42][H:73]