SMIRKS
[N:18]([C:19]1:[C:20]([H:53]):[C:21]([H:54]):[N:22]([C@:23]2([H:55])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:56])[O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@:34]2([O:35][H:63])[H:64]):[C:36](=[O:37]):[N:38]:1)([H:65])[H:66]>>[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):C(C([H])([H])[H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])O[P:28](=[O:29])([O:30][H:56])[O:31][H:57].[H][O:27][C:26]([C@@:25]1([H:60])[O:24][C@:23]([N:22]2:[C:21]([H:54]):[C:20]([H:53]):[C:19]([N:18]([H:65])[H:66]):[N:38]:[C:36]:2=[O:37])([H:55])[C@@:34]([O:35][H:63])([H:64])[C@@:32]1([O:33][H:61])[H:62])([H:58])[H:59]
Derived Operators
EVODEX.1-F408 - Elemental Balance
| O | 5 |
| C | 10 |
| N | 2 |
| H | 14 |
EVODEX.1-M399 - Mass Difference
242.09032
EVODEX.1-E1214 - Reaction Operator E
[#8:18]=[#15:19](-[#8:20])(-[#8:21])-[#8:22]-[#6:23]>>[#6](-[#6]1:[#6](-[H]):[#7](-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:19](=[#8:18])(-[#8:20])-[#8:21])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7](-[H]):[#6]:1=[#8])(-[H])(-[H])-[H].[#8:22](-[#6:23])-[H]
EVODEX.1-C1073 - Reaction Operator C
([#8:27]-[#15:28].[#6@:32]-[#6@:34])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:28].([H]-[#8:27].[#6@@:34]-[#6@@:32])
EVODEX.1-N1323 - Reaction Operator N
[#6:26](-[#6@@:25]-[#6@:32](-[#8:33])(-[H:62])-[#6@:34](-[#6@:23])(-[#8:35])-[H:64])-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:28](=[#8:29])(-[#8:30])-[#8:31].[H]-[#8:27]-[#6:26]-[#6@@:25]-[#6@:32](-[#6@:34](-[#6@:23])(-[#8:35])-[H:64])(-[#8:33])-[H:62]
EVODEX.1-Em64 - Reaction Operator Em
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
EVODEX.1-Nm77 - Reaction Operator Nm
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
Source Full Reactions
EVODEX.1-R4143
[H][O:11][C:10]([C@:9]1([H:48])[C@:7]([O:8][H:43])([H:44])[C:6]([H:41])([H:42])[C@@:5]([N:4]2:[C:3]([H:39]):[C:2]([C:1]([H:50])([H:51])[H:52]):[C:16](=[O:17]):[N:15]([H:49]):[C:13]:2=[O:14])([H:40])[O:12]1)([H:46])[H:47].[N:18]([C:19]1:[C:20]([H:53]):[C:21]([H:54]):[N:22]([C@:23]2([H:55])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:56])[O:31][H:57])([H:58])[H:59])([H:60])[C@:32]([O:33][H:61])([H:62])[C@:34]2([O:35][H:63])[H:64]):[C:36](=[O:37]):[N:38]:1)([H:65])[H:66]>>[C:1]([C:2]1:[C:3]([H:39]):[N:4]([C@@:5]2([H:40])[C:6]([H:41])([H:42])[C@@:7]([O:8][H:43])([H:44])[C@:9]([C:10]([O:11][P:28](=[O:29])([O:30][H:56])[O:31][H:57])([H:46])[H:47])([H:48])[O:12]2):[C:13](=[O:14]):[N:15]([H:49]):[C:16]:1=[O:17])([H:50])([H:51])[H:52].[H][O:27][C:26]([C@@:25]1([H:60])[O:24][C@:23]([N:22]2:[C:21]([H:54]):[C:20]([H:53]):[C:19]([N:18]([H:65])[H:66]):[N:38]:[C:36]:2=[O:37])([H:55])[C@@:34]([O:35][H:63])([H:64])[C@@:32]1([O:33][H:61])[H:62])([H:58])[H:59]