SMIRKS
[H][O:19][C:18]1:[C:12]2:[C:13](:[C:14]([H:60]):[C:15]([H:61]):[C:16]:1[O:17][H:62])[C:2](=[O:1])[C:3]1:[C:4]([H:56]):[C:5]([H:57]):[C:6]([O:7][H:58]):[C:8]([H:59]):[C:9]:1[C:10]2=[O:11].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:38]1([H:69])[O:39][C@@:40]([C:41]([O:42][H:70])([H:71])[H:72])([H:73])[C@:43]([O:44][H:74])([H:75])[C@@:45]([O:46][H:76])([H:77])[C@:47]1([O:48][H:78])[H:79]>>[O:1]=[C:2]1[C:3]2:[C:4]([H:56]):[C:5]([H:57]):[C:6]([O:7][H:58]):[C:8]([H:59]):[C:9]:2[C:10](=[O:11])[C:12]2:[C:13]1:[C:14]([H:60]):[C:15]([H:61]):[C:16]([O:17][H:62]):[C:18]:2[O:19][C@:38]1([H:69])[O:39][C@@:40]([C:41]([O:42][H:70])([H:71])[H:72])([H:73])[C@:43]([O:44][H:74])([H:75])[C@@:45]([O:46][H:76])([H:77])[C@:47]1([O:48][H:78])[H:79]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1110 - Reaction Operator E
[#6:10]-[#8:11]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49]
EVODEX.1-C64 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N23 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26].[H]-[#8:53]-[#6@:52]>>[#8:53](-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26])-[#6@:52]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3048
[H][O:19][C:18]1:[C:12]2:[C:13](:[C:14]([H:60]):[C:15]([H:61]):[C:16]:1[O:17][H:62])[C:2](=[O:1])[C:3]1:[C:4]([H:56]):[C:5]([H:57]):[C:6]([O:7][H:58]):[C:8]([H:59]):[C:9]:1[C:10]2=[O:11].[O:20]=[C:21]1:[C:22]([H:64]):[C:23]([H:65]):[N:24]([C@:25]2([H:66])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:67])[O:33][P:34](=[O:35])([O:36][H:68])[O:37][C@@:38]3([H:69])[O:39][C@@:40]([C:41]([O:42][H:70])([H:71])[H:72])([H:73])[C@:43]([O:44][H:74])([H:75])[C@@:45]([O:46][H:76])([H:77])[C@:47]3([O:48][H:78])[H:79])([H:80])[H:81])([H:82])[C@:49]([O:50][H:83])([H:84])[C@:51]2([O:52][H:85])[H:86]):[C:53](=[O:54]):[N:55]:1[H:87]>>[O:1]=[C:2]1[C:3]2:[C:4]([H:56]):[C:5]([H:57]):[C:6]([O:7][H:58]):[C:8]([H:59]):[C:9]:2[C:10](=[O:11])[C:12]2:[C:13]1:[C:14]([H:60]):[C:15]([H:61]):[C:16]([O:17][H:62]):[C:18]:2[O:19][C@:38]1([H:69])[O:39][C@@:40]([C:41]([O:42][H:70])([H:71])[H:72])([H:73])[C@:43]([O:44][H:74])([H:75])[C@@:45]([O:46][H:76])([H:77])[C@:47]1([O:48][H:78])[H:79].[H][O:37][P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:82])[O:26][C@:25]([N:24]2:[C:23]([H:65]):[C:22]([H:64]):[C:21](=[O:20]):[N:55]([H:87]):[C:53]:2=[O:54])([H:66])[C@@:51]([O:52][H:85])([H:86])[C@@:49]1([O:50][H:83])[H:84])([H:80])[H:81])(=[O:31])[O:32][H:67])(=[O:35])[O:36][H:68]