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:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67].[H]O[C:16]([C@:14]([C:13]([C:12]([C:10]([N:9]([H:85])[H:86])=[O:11])([H:83])[H:84])([H:81])[H:82])([N:15]([H:77])[H:78])[H:80])=[O:17]>>[H]OC(=O)[C@@]([H])(N([H])[C:16]([C@:14]([C:13]([C:12]([C:10]([N:9]([H:85])[H:86])=[O:11])([H:83])[H:84])([H:81])[H:82])([N:15]([H:77])[H:78])[H:80])=[O:17])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]
Derived Operators
EVODEX.1-F558 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -5 |
| N | -4 |
| H | -4 |
EVODEX.1-M526 - Mass Difference
-309.95052
EVODEX.1-E1381 - 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])-[#8:75]-[#15:76])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:75](-[#15:76])-[H]
EVODEX.1-C827 - Reaction Operator C
[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])-[#8:42].[H]-[#8]-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]
EVODEX.1-N1038 - Reaction Operator N
[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])-[#8:42]-[#15:43].[H]-[#8]-[#6:17](-[#6@@:10])=[#8:18]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:17](-[#6@@:10])=[#8:18])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:42]-[#15:43]
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-R7768
[H][N:5]([C@@:4]([C:2]([C:1]([H:58])([H:59])[H:60])([C:3]([H:50])([H:51])[H:52])[H:57])([C:6](=[O:7])[O:8][H:55])[H:56])[H:53].[N:19]([C:20]1:[N:21]:[C:22]([H:61]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:62]):[N:28]:2[C@:29]1([H:63])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:64])[O:37][P:38](=[O:39])([O:40][H:65])[O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67])([H:68])[H:69])([H:70])[C@:46]([O:47][H:71])([H:72])[C@:48]1([O:49][H:73])[H:74])([H:75])[H:76].[N:9]([C:10](=[O:11])[C:12]([C:13]([C@:14]([N:15]([H:77])[H:78])([C:16](=[O:17])[O:18][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[H:86]>>[C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([C@:4]([N:5]([C:16]([C@:14]([C:13]([C:12]([C:10]([N:9]([H:85])[H:86])=[O:11])([H:83])[H:84])([H:81])[H:82])([N:15]([H:77])[H:78])[H:80])=[O:17])[H:53])([C:6](=[O:7])[O:8][H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:70])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:61]):[N:21]:[C:20]([N:19]([H:75])[H:76]):[C:25]:3:[N:26]:[C:27]:2[H:62])([H:63])[C@@:48]([O:49][H:73])([H:74])[C@@:46]1([O:47][H:71])[H:72])([H:68])[H:69])(=[O:35])[O:36][H:64])(=[O:39])[O:40][H:65])[H:79].[H][O:41][P:42](=[O:43])([O:44][H:66])[O:45][H:67]