SMIRKS
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:51])([H:52])[H:53])[H:60])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[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:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:51])([H:52])[H:53])[H:60])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54])N([H])[H].[H][O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]
Derived Operators
EVODEX.1-F554 - Elemental Balance
| P | -2 |
| O | -7 |
| C | -5 |
| N | -3 |
| H | -5 |
EVODEX.1-M524 - Mass Difference
-280.96035
EVODEX.1-E1375 - Reaction Operator E
[#7:11](-[#6@@:12])(-[H:67])-[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])-[#8:48]-[#15:49])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:67])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:48](-[#15:49])-[H]
EVODEX.1-C840 - Reaction Operator C
[H]-[#7:6].[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]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6])-[#7](-[H])-[H].[H]-[#8:42]
EVODEX.1-N1051 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:54].[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]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:54])-[#7](-[H])-[H].[H]-[#8:42]-[#15:43]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7870
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:51])([H:52])[H:53])[H:60])([H:58])[H:59])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:64])[H:65])([C:17](=[O:18])[O:19][H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[N:20]([C:21]1:[N:22]:[C:23]([H:74]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:75]):[N:29]:2[C@:30]1([H:76])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:77])[O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]1([O:50][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C:4]([C@:5]([N:6]([C:17]([C@:15]([C:14]([C:13]([C:11]([N:10]([H:72])[H:73])=[O:12])([H:70])[H:71])([H:68])[H:69])([N:16]([H:64])[H:65])[H:67])=[O:18])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])([H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:83])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:74]):[N:22]:[C:21]([N:20]([H:88])[H:89]):[C:26]:3:[N:27]:[C:28]:2[H:75])([H:76])[C@@:49]([O:50][H:86])([H:87])[C@@:47]1([O:48][H:84])[H:85])([H:81])[H:82])(=[O:36])[O:37][H:77])(=[O:40])[O:41][H:78])[H:66].[H][O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]