SMIRKS
[N:15]([C:16]1:[N:17]:[C:18]([H:46]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:47]):[N:24]:2[C@:25]1([H:48])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:49])[O:33][P:34](=[O:35])([O:36][H:50])[O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52])([H:53])[H:54])([H:55])[C@:42]([O:43][H:56])([H:57])[C@:44]1([O:45][H:58])[H:59])([H:60])[H:61].[N:8]([C@@:9]([C:10]([S:11][H:69])([H:70])[H:71])([C:12](=[O:13])[O:14][H:72])[H:73])([H:74])[H:75]>>[H]OC(=O)[C@@]([H])(N([H])[C:12]([C@@:9]([N:8]([H:74])[H:75])([C:10]([S:11][H:69])([H:70])[H:71])[H:73])=[O:13])C([H])([H])O[H].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:55])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:46]):[N:17]:[C:16]([N:15]([H:60])[H:61]):[C:21]:3:[N:22]:[C:23]:2[H:47])([H:48])[C@@:44]([O:45][H:58])([H:59])[C@@:42]1([O:43][H:56])[H:57])([H:53])[H:54])(=[O:31])[O:32][H:49])(=[O:35])[O:36][H:50])[H:72].[H][O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52]
Derived Operators
EVODEX.1-F269 - Elemental Balance
| O | 3 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M140 - Mass Difference
105.04261
EVODEX.1-E1015 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:107].([#8:70]-[#15:71](=[#8:72])(-[#8:73])-[#8:74]-[#15:75].[#8:80]-[#6@@:79](-[#6@@:64])(-[H:132])-[#6@:81](-[#6@:62])(-[#8:82])-[H:134])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:71](-[#8:70])(=[#8:72])-[#8:73])-[H:107].[#8:82]-[#6@:81](-[#6@:62])(-[H:134])-[#6@@:79](-[#6@@:64])(-[#8:80])-[H:132]).[#8:74](-[#15:75])-[H]
EVODEX.1-C940 - Reaction Operator C
([#15:40]-[#8:43].[#6@:48]-[#6@:50]).[#6:18]-[#8:20]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18])-[#6](-[H])(-[H])-[#8]-[H].([#8:20]-[#15:40].[#6@@:50]-[#6@@:48]).[H]-[#8:43]
EVODEX.1-N1177 - Reaction Operator N
([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]-[#15:44].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:70])-[#6@:50](-[#6@:31])(-[#8:51])-[H:72]).[#6:18](-[#6@@:9])(=[#8:19])-[#8:20]-[H:82]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18](-[#6@@:9])=[#8:19])-[#6](-[H])(-[H])-[#8]-[H].([#8:20](-[#15:40](-[#8:39])(=[#8:41])-[#8:42])-[H:82].[#8:51]-[#6@:50](-[#6@:31])(-[H:72])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:70]).[H]-[#8:43]-[#15:44]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7834
[N:15]([C:16]1:[N:17]:[C:18]([H:46]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:47]):[N:24]:2[C@:25]1([H:48])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:49])[O:33][P:34](=[O:35])([O:36][H:50])[O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52])([H:53])[H:54])([H:55])[C@:42]([O:43][H:56])([H:57])[C@:44]1([O:45][H:58])[H:59])([H:60])[H:61].[H][N:1]([C@@:2]([C:3]([O:4][H:62])([H:63])[H:64])([C:5](=[O:6])[O:7][H:65])[H:66])[H:67].[N:8]([C@@:9]([C:10]([S:11][H:69])([H:70])[H:71])([C:12](=[O:13])[O:14][H:72])[H:73])([H:74])[H:75]>>[N:1]([C@@:2]([C:3]([O:4][H:62])([H:63])[H:64])([C:5](=[O:6])[O:7][H:65])[H:66])([C:12]([C@@:9]([N:8]([H:74])[H:75])([C:10]([S:11][H:69])([H:70])[H:71])[H:73])=[O:13])[H:67].[O:14]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:55])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:46]):[N:17]:[C:16]([N:15]([H:60])[H:61]):[C:21]:3:[N:22]:[C:23]:2[H:47])([H:48])[C@@:44]([O:45][H:58])([H:59])[C@@:42]1([O:43][H:56])[H:57])([H:53])[H:54])(=[O:31])[O:32][H:49])(=[O:35])[O:36][H:50])[H:72].[H][O:37][P:38](=[O:39])([O:40][H:51])[O:41][H:52]