SMIRKS
[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66].[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:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66])N([H])[H]):C([H]):C:1[H].[H][O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82]
Derived Operators
EVODEX.1-F451 - Elemental Balance
| P | -2 |
| O | -7 |
| C | -1 |
| N | -4 |
| H | -4 |
EVODEX.1-M434 - Mass Difference
-245.95562
EVODEX.1-E1260 - Reaction Operator E
[#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])-[#8:41]-[#15:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:1](-[#6:2])(-[H:69])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:69].[#8:41](-[#15:42])-[H]
EVODEX.1-C854 - Reaction Operator C
[H]-[#7:1].[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])-[#8:43]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]
EVODEX.1-N1065 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:57].[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])-[#8:43]-[#15:44]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:57])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]-[#15:44]
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-R7816
[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:55]):[C:16]([H:56]):[C:17]([O:18][H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])([C:21](=[O:22])[O:23][H:62])[H:63])([H:64])[H:65].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([H:70])[H:71])([C:8](=[O:9])[O:10][H:68])[H:69])[H:66].[N:24]([C:25]1:[N:26]:[C:27]([H:76]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:77]):[N:33]:2[C@:34]1([H:78])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:79])[O:42][P:43](=[O:44])([O:45][H:80])[O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82])([H:83])[H:84])([H:85])[C@:51]([O:52][H:86])([H:87])[C@:53]1([O:54][H:88])[H:89])([H:90])[H:91]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:21]([C@@:12]([N:11]([H:64])[H:65])([C:13]([C:14]1:[C:15]([H:55]):[C:16]([H:56]):[C:17]([O:18][H:57]):[C:19]([H:58]):[C:20]:1[H:59])([H:60])[H:61])[H:63])=[O:22])[H:66])([C:8](=[O:9])[O:10][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:85])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:76]):[N:26]:[C:25]([N:24]([H:90])[H:91]):[C:30]:3:[N:31]:[C:32]:2[H:77])([H:78])[C@@:53]([O:54][H:88])([H:89])[C@@:51]1([O:52][H:86])[H:87])([H:83])[H:84])(=[O:40])[O:41][H:79])(=[O:44])[O:45][H:80])[H:62].[H][O:46][P:47](=[O:48])([O:49][H:81])[O:50][H:82]