SMIRKS
[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([C:7](=[O:8])[O:9][H:70])[H:71])[H:68].[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:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([C:7](=[O:8])[O:9][H:70])[H:71])[H:68])N([H])[H]):C([H]):N:2[H].[H][O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]
Derived Operators
EVODEX.1-F579 - Elemental Balance
| P | -2 |
| O | -8 |
| C | 1 |
| N | -3 |
| H | -3 |
EVODEX.1-M546 - Mass Difference
-222.93959
EVODEX.1-E1403 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:59])-[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])-[#8:45]-[#15:46])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59].[#8:45](-[#15:46])-[H]
EVODEX.1-C851 - Reaction Operator C
[H]-[#7:5].[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])-[#8:46]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]
EVODEX.1-N1062 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:58].[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])-[#8:46]-[#15:47]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:58])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]-[#15:47]
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-R7803
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:56]):[N:15]([H:57]):[C:16]2:[C:17]([H:58]):[C:18]([H:59]):[C:19]([H:60]):[C:20]([H:61]):[C:21]:1:2)([H:62])[H:63])([C:22](=[O:23])[O:24][H:64])[H:65])([H:66])[H:67].[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([C:7](=[O:8])[O:9][H:70])[H:71])[H:68].[N:25]([C:26]1:[N:27]:[C:28]([H:76]):[N:29]:[C:30]2:[C:31]:1:[N:32]:[C:33]([H:77]):[N:34]:2[C@:35]1([H:78])[O:36][C@@:37]([C:38]([O:39][P:40](=[O:41])([O:42][H:79])[O:43][P:44](=[O:45])([O:46][H:80])[O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82])([H:83])[H:84])([H:85])[C@:52]([O:53][H:86])([H:87])[C@:54]1([O:55][H:88])[H:89])([H:90])[H:91]>>[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([C:22]([C@@:11]([N:10]([H:66])[H:67])([C:12]([C:13]1:[C:14]([H:56]):[N:15]([H:57]):[C:16]2:[C:17]([H:58]):[C:18]([H:59]):[C:19]([H:60]):[C:20]([H:61]):[C:21]:1:2)([H:62])[H:63])[H:65])=[O:23])[H:68])([C:7](=[O:8])[O:9][H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:24]([P:44]([O:43][P:40]([O:39][C:38]([C@@:37]1([H:85])[O:36][C@:35]([N:34]2:[C:30]3:[N:29]:[C:28]([H:76]):[N:27]:[C:26]([N:25]([H:90])[H:91]):[C:31]:3:[N:32]:[C:33]:2[H:77])([H:78])[C@@:54]([O:55][H:88])([H:89])[C@@:52]1([O:53][H:86])[H:87])([H:83])[H:84])(=[O:41])[O:42][H:79])(=[O:45])[O:46][H:80])[H:64].[H][O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]