SMIRKS
[O:1]=[C:2]([O:3][H:49])[C:4]([C:5]([N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])[H:64])([H:65])[H:66])([H:67])[H:68]>>[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:59])[O:17][C@:16]([N:15]2:[C:11]3:[N:10]:[C:9]([H:50]):[N:8]:[C:7]([N:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:49])([H:67])[H:68])([H:65])[H:66])[H:64]):[C:12]:3:[N:13]:[C:14]:2[H:51])([H:52])[C@@:35]([O:36][H:62])([H:63])[C@@:33]1([O:34][H:60])[H:61])([H:57])[H:58])(=[O:22])[O:23][H:53])(=[O:26])[O:27][H:54].[H]O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[P:29](=[O:30])([O:31][H:55])[O:32][H:56])[C@@]([H])(O[H])C([H])=O
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1089 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](-[#6@](-[#6@](-[#6@@](-[#6@](-[#6](=[#8])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C968 - Reaction Operator C
([#8:28]-[#15:29].[#6@:33]-[#6@:35])>>([H]-[#8:28].[#6@@:35]-[#6@@:33]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15:29])-[#6@@](-[H])(-[#8]-[H])-[#6](-[H])=[#8]
EVODEX.1-N1211 - Reaction Operator N
([#15:25]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:32].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:61])-[#6@:35](-[#6@:16])(-[#8:36])-[H:63])>>([H]-[#8:28]-[#15:25].[#8:36]-[#6@:35](-[#6@:16])(-[H:63])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:61]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15:29](=[#8:30])(-[#8:31])-[#8:32])-[#6@@](-[H])(-[#8]-[H])-[#6](-[H])=[#8]
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-R3971
[O:1]=[C:2]([O:3][H:49])[C:4]([C:5]([N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])[H:64])([H:65])[H:66])([H:67])[H:68].[H][O:48][C:47]([C@:45]([C@:43]([C@@:41]([C@:39]([C:38](=[O:37])[H:80])([O:40][H:69])[H:79])([O:42][H:70])[H:78])([O:44][H:71])[H:77])([O:46][H:72])[H:76])([H:74])[H:75]>>[H][O:28][P:25]([O:24][P:21]([O:20][C:19]([C@@:18]1([H:59])[O:17][C@:16]([N:15]2:[C:11]3:[N:10]:[C:9]([H:50]):[N:8]:[C:7]([N:6]([C:5]([C:4]([C:2](=[O:1])[O:3][H:49])([H:67])[H:68])([H:65])[H:66])[H:64]):[C:12]:3:[N:13]:[C:14]:2[H:51])([H:52])[C@@:35]([O:36][H:62])([H:63])[C@@:33]1([O:34][H:60])[H:61])([H:57])[H:58])(=[O:22])[O:23][H:53])(=[O:26])[O:27][H:54].[P:29](=[O:30])([O:31][H:55])([O:32][H:56])[O:48][C:47]([C@:45]([C@:43]([C@@:41]([C@:39]([C:38](=[O:37])[H:80])([O:40][H:69])[H:79])([O:42][H:70])[H:78])([O:44][H:71])[H:77])([O:46][H:72])[H:76])([H:74])[H:75]