SMIRKS
[N:17]([C:18]1:[N:19]:[C:20]([H:47]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:48]):[N:26]:2[C@@:27]1([H:49])[C:28]([H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:54])[O:37][P:38](=[O:39])([O:40][H:55])[O:41][P:42](=[O:43])([O:44][H:56])[O:45][H:57])([H:58])[H:59])([H:60])[O:46]1)([H:61])[H:62]>>[H][O:41][P:38]([O:37][P:34]([O:33][C:32]([C@:31]1([H:60])[C@:29]([O:30][H:52])([H:53])[C:28]([H:50])([H:51])[C@@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:47]):[N:19]:[C:18]([N:17]([H:61])[H:62]):[C:23]:3:[N:24]:[C:25]:2[H:48])([H:49])[O:46]1)([H:58])[H:59])(=[O:35])[O:36][H:54])(=[O:39])[O:40][H:55].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])O[P:42](=[O:43])([O:44][H:56])[O:45][H:57]
Derived Operators
EVODEX.1-F407 - Elemental Balance
| O | 4 |
| C | 9 |
| N | 3 |
| H | 13 |
EVODEX.1-M398 - Mass Difference
227.09069
EVODEX.1-E1213 - Reaction Operator E
[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1)(-[H])-[H].[#8:21](-[#15:22])-[H]
EVODEX.1-C1092 - Reaction Operator C
([#8:41]-[#15:42].[#6@@:29])>>([H]-[#8:41].[#6@:29]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42]
EVODEX.1-N1339 - Reaction Operator N
([#6:28]-[#6@@:29](-[#8:30])(-[H:53])-[#6@:31].[#15:38]-[#8:41]-[#15:42](=[#8:43])(-[#8:44])-[#8:45])>>([H]-[#8:41]-[#15:38].[#8:30]-[#6@@:29](-[#6@:31])(-[H:53])-[#6:28]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42](=[#8:43])(-[#8:44])-[#8:45]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4120
[N:17]([C:18]1:[N:19]:[C:20]([H:47]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:48]):[N:26]:2[C@@:27]1([H:49])[C:28]([H:50])([H:51])[C@@:29]([O:30][H:52])([H:53])[C@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:54])[O:37][P:38](=[O:39])([O:40][H:55])[O:41][P:42](=[O:43])([O:44][H:56])[O:45][H:57])([H:58])[H:59])([H:60])[O:46]1)([H:61])[H:62].[H][O:12][C:11]([C@:10]1([H:73])[C@:8]([O:9][H:68])([H:69])[C:7]([H:66])([H:67])[C@@:6]([N:5]2:[C:4]([H:64]):[C:3]([H:63]):[C:2]([N:1]([H:74])[H:75]):[N:16]:[C:14]:2=[O:15])([H:65])[O:13]1)([H:71])[H:72]>>[H][O:41][P:38]([O:37][P:34]([O:33][C:32]([C@:31]1([H:60])[C@:29]([O:30][H:52])([H:53])[C:28]([H:50])([H:51])[C@@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:47]):[N:19]:[C:18]([N:17]([H:61])[H:62]):[C:23]:3:[N:24]:[C:25]:2[H:48])([H:49])[O:46]1)([H:58])[H:59])(=[O:35])[O:36][H:54])(=[O:39])[O:40][H:55].[N:1]([C:2]1:[C:3]([H:63]):[C:4]([H:64]):[N:5]([C@@:6]2([H:65])[C:7]([H:66])([H:67])[C@@:8]([O:9][H:68])([H:69])[C@:10]([C:11]([O:12][P:42](=[O:43])([O:44][H:56])[O:45][H:57])([H:71])[H:72])([H:73])[O:13]2):[C:14](=[O:15]):[N:16]:1)([H:74])[H:75]