SMIRKS
[C:1]([C:2]1:[C:3]([H:38]):[N:4]([C@@:5]2([H:39])[C:6]([H:40])([H:41])[C@@:7]([O:8][H:42])([H:43])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:44])[O:15][P:16](=[O:17])([O:18][H:45])[O:19][H:46])([H:47])[H:48])([H:49])[O:20]2):[C:21](=[O:22]):[N:23]([H:50]):[C:24]:1=[O:25])([H:51])([H:52])[H:53]>>[H][O:15][P:12]([O:11][C:10]([C@:9]1([H:49])[C@:7]([O:8][H:42])([H:43])[C:6]([H:40])([H:41])[C@@:5]([N:4]2:[C:3]([H:38]):[C:2]([C:1]([H:51])([H:52])[H:53]):[C:24](=[O:25]):[N:23]([H:50]):[C:21]:2=[O:22])([H:39])[O:20]1)([H:47])[H:48])(=[O:13])[O:14][H:44].[H]OC1([H])O[C@]([H])(C([H])([H])O[P:16](=[O:17])([O:18][H:45])[O:19][H:46])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1088 - 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@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C1077 - Reaction Operator C
([#8:20]-[#15:21].[#6@@:8])>>([H]-[#8:20].[#6@:8]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:21])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N1327 - Reaction Operator N
([#6:7]-[#6@@:8](-[#8:9])(-[H:47])-[#6@:10].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])>>([H]-[#8:20]-[#15:17].[#8:9]-[#6@@:8](-[#6@:10])(-[H:47])-[#6:7]).[H]-[#8]-[#6]1(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
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-R3935
[C:1]([C:2]1:[C:3]([H:38]):[N:4]([C@@:5]2([H:39])[C:6]([H:40])([H:41])[C@@:7]([O:8][H:42])([H:43])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:44])[O:15][P:16](=[O:17])([O:18][H:45])[O:19][H:46])([H:47])[H:48])([H:49])[O:20]2):[C:21](=[O:22]):[N:23]([H:50]):[C:24]:1=[O:25])([H:51])([H:52])[H:53].[H][O:26][C:27]([C@@:28]1([H:54])[O:29][C:30]([O:31][H:55])([H:56])[C@@:32]([O:33][H:57])([H:58])[C@:34]([O:35][H:59])([H:60])[C@@:36]1([O:37][H:61])[H:62])([H:63])[H:64]>>[H][O:15][P:12]([O:11][C:10]([C@:9]1([H:49])[C@:7]([O:8][H:42])([H:43])[C:6]([H:40])([H:41])[C@@:5]([N:4]2:[C:3]([H:38]):[C:2]([C:1]([H:51])([H:52])[H:53]):[C:24](=[O:25]):[N:23]([H:50]):[C:21]:2=[O:22])([H:39])[O:20]1)([H:47])[H:48])(=[O:13])[O:14][H:44].[P:16](=[O:17])([O:18][H:45])([O:19][H:46])[O:26][C:27]([C@@:28]1([H:54])[O:29][C:30]([O:31][H:55])([H:56])[C@@:32]([O:33][H:57])([H:58])[C@:34]([O:35][H:59])([H:60])[C@@:36]1([O:37][H:61])[H:62])([H:63])[H:64]