SMIRKS
[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@@:19]1([H:62])[O:20][C@@:21]([C:22]([O:23][H:63])([H:64])[H:65])([H:66])[C@@:24]([O:25][H:67])([H:68])[C@@:26]([O:27][H:69])([H:70])[C@:28]1([O:29][H:71])[H:72].[H][O:56][C@@:55]1([H:95])[C@@:38]([O:37][H:96])([H:81])[C@:39]([O:40][H:82])([H:83])[C@@:41]([O:42][C:43]2:[C:44]([H:84]):[C:45]([H:85]):[C:46]3:[C:47]([H:86]):[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]:3:[C:52]:2[H:90])([H:91])[O:53][C:54]1([H:92])[H:93]>>[C@@:19]1([O:56][C@@:55]2([H:95])[C@@:38]([O:37][H:96])([H:81])[C@:39]([O:40][H:82])([H:83])[C@@:41]([O:42][C:43]3:[C:44]([H:84]):[C:45]([H:85]):[C:46]4:[C:47]([H:86]):[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]:4:[C:52]:3[H:90])([H:91])[O:53][C:54]2([H:92])[H:93])([H:62])[O:20][C@@:21]([C:22]([O:23][H:63])([H:64])[H:65])([H:66])[C@@:24]([O:25][H:67])([H:68])[C@@:26]([O:27][H:69])([H:70])[C@:28]1([O:29][H:71])[H:72]
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-E1115 - Reaction Operator E
[#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@@:19](-[H:72])(-[#8:20])-[#6@:26])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H].[#6:36]-[#6@@:37](-[H:89])(-[#8:38])-[#6@:65](-[#6@:63])(-[#8:66]-[H])-[H:106]>>[#8:66](-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26])-[#6@:65](-[H:106])(-[#6@:37](-[#6:36])(-[H:89])-[#8:38])-[#6@:63]
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-R2996
[O:1]=[C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][C@@:19]3([H:62])[O:20][C@@:21]([C:22]([O:23][H:63])([H:64])[H:65])([H:66])[C@@:24]([O:25][H:67])([H:68])[C@@:26]([O:27][H:69])([H:70])[C@:28]3([O:29][H:71])[H:72])([H:73])[H:74])([H:75])[C@:30]([O:31][H:76])([H:77])[C@:32]2([O:33][H:78])[H:79]):[C:34](=[O:35]):[N:36]:1[H:80].[H][O:56][C@@:55]1([H:95])[C@@:38]([O:37][H:96])([H:81])[C@:39]([O:40][H:82])([H:83])[C@@:41]([O:42][C:43]2:[C:44]([H:84]):[C:45]([H:85]):[C:46]3:[C:47]([H:86]):[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]:3:[C:52]:2[H:90])([H:91])[O:53][C:54]1([H:92])[H:93]>>[C@@:19]1([O:56][C@@:55]2([H:95])[C@@:38]([O:37][H:96])([H:81])[C@:39]([O:40][H:82])([H:83])[C@@:41]([O:42][C:43]3:[C:44]([H:84]):[C:45]([H:85]):[C:46]4:[C:47]([H:86]):[C:48]([H:87]):[C:49]([H:88]):[C:50]([H:89]):[C:51]:4:[C:52]:3[H:90])([H:91])[O:53][C:54]2([H:92])[H:93])([H:62])[O:20][C@@:21]([C:22]([O:23][H:63])([H:64])[H:65])([H:66])[C@@:24]([O:25][H:67])([H:68])[C@@:26]([O:27][H:69])([H:70])[C@:28]1([O:29][H:71])[H:72].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:75])[O:7][C@:6]([N:5]2:[C:4]([H:58]):[C:3]([H:57]):[C:2](=[O:1]):[N:36]([H:80]):[C:34]:2=[O:35])([H:59])[C@@:32]([O:33][H:78])([H:79])[C@@:30]1([O:31][H:76])[H:77])([H:73])[H:74])(=[O:12])[O:13][H:60])(=[O:16])[O:17][H:61]