SMIRKS
[N:18]([C:19]1:[N:20]:[C:21]([H:54]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:55]):[N:27]:2[C@:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])([H:59])[H:60])([H:61])[C:37]([H:62])([H:63])[C@:38]1([O:39][H:64])[H:65])([H:66])[H:67]>>[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:33](=[O:34])([O:35][H:57])[O:36][H:58].[H][O:32][C:31]([C@@:30]1([H:61])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:54]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:55])([H:56])[C@@:38]([O:39][H:64])([H:65])[C:37]1([H:62])[H:63])([H:59])[H:60]
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-C1322 - Reaction Operator C
([#8:32]-[#15:33].[#6@:38])>>[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]-[#15:33].([H]-[#8:32].[#6@@:38])
EVODEX.1-N1661 - Reaction Operator N
([#6:31]-[#8:32]-[#15:33](=[#8:34])(-[#8:35])-[#8:36].[#6:37]-[#6@:38](-[#6@:28])(-[#8:39])-[H:65])>>[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]-[#15:33](=[#8:34])(-[#8:35])-[#8:36].([H]-[#8:32]-[#6:31].[#8:39]-[#6@:38](-[#6@:28])(-[H:65])-[#6:37])
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-R4144
[H][O:11][C:10]([C@:9]1([H:49])[C@:7]([O:8][H:44])([H:45])[C:6]([H:42])([H:43])[C@@:5]([N:4]2:[C:3]([H:40]):[C:2]([C:1]([H:51])([H:52])[H:53]):[C:16](=[O:17]):[N:15]([H:50]):[C:13]:2=[O:14])([H:41])[O:12]1)([H:47])[H:48].[N:18]([C:19]1:[N:20]:[C:21]([H:54]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:55]):[N:27]:2[C@:28]1([H:56])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:57])[O:36][H:58])([H:59])[H:60])([H:61])[C:37]([H:62])([H:63])[C@:38]1([O:39][H:64])[H:65])([H:66])[H:67]>>[C:1]([C:2]1:[C:3]([H:40]):[N:4]([C@@:5]2([H:41])[C:6]([H:42])([H:43])[C@@:7]([O:8][H:44])([H:45])[C@:9]([C:10]([O:11][P:33](=[O:34])([O:35][H:57])[O:36][H:58])([H:47])[H:48])([H:49])[O:12]2):[C:13](=[O:14]):[N:15]([H:50]):[C:16]:1=[O:17])([H:51])([H:52])[H:53].[H][O:32][C:31]([C@@:30]1([H:61])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:54]):[N:20]:[C:19]([N:18]([H:66])[H:67]):[C:24]:3:[N:25]:[C:26]:2[H:55])([H:56])[C@@:38]([O:39][H:64])([H:65])[C:37]1([H:62])[H:63])([H:59])[H:60]