SMIRKS
[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1)([H:56])[H:57]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:56])[H:57]):[N:29]:[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[H]O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[P:19](=[O:20])([O:21][H:47])[O:22][H:48])[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-E1090 - 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@]1(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]
EVODEX.1-C1313 - Reaction Operator C
([#8:18]-[#15:19].[#6@:23]-[#6@:25])>>([H]-[#8:18].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1647 - Reaction Operator N
([#15:15]-[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:53])-[#6@:25](-[#6@:6])(-[#8:26])-[H:55])>>([H]-[#8:18]-[#15:15].[#8:26]-[#6@:25](-[#6@:6])(-[H:55])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:53]).[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])-[#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-R4102
[N:1]([C:2]1:[C:3]([H:42]):[C:4]([H:43]):[N:5]([C@:6]2([H:44])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:45])[O:14][P:15](=[O:16])([O:17][H:46])[O:18][P:19](=[O:20])([O:21][H:47])[O:22][H:48])([H:49])[H:50])([H:51])[C@:23]([O:24][H:52])([H:53])[C@:25]2([O:26][H:54])[H:55]):[C:27](=[O:28]):[N:29]:1)([H:56])[H:57].[H][O:30][C@@:31]1([H:58])[C@@:32]([O:33][H:59])([H:60])[C@:34]([O:35][H:61])([H:62])[C@@:36]([O:37][H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@:40]1([O:41][H:67])[H:68]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:51])[O:7][C@:6]([N:5]2:[C:4]([H:43]):[C:3]([H:42]):[C:2]([N:1]([H:56])[H:57]):[N:29]:[C:27]:2=[O:28])([H:44])[C@@:25]([O:26][H:54])([H:55])[C@@:23]1([O:24][H:52])[H:53])([H:49])[H:50])(=[O:12])[O:13][H:45])(=[O:16])[O:17][H:46].[P:19](=[O:20])([O:21][H:47])([O:22][H:48])[O:30][C@:31]1([H:58])[C@:32]([O:33][H:59])([H:60])[C@@:34]([O:35][H:61])([H:62])[C@:36]([O:37][H:63])([H:64])[C@@:38]([O:39][H:65])([H:66])[C@@:40]1([O:41][H:67])[H:68]