SMIRKS
[N:18]([C:19]1:[N:20]:[C:21]([H:55]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:56]):[N:27]:2[C@:28]1([H:57])[O:29][C@@:30]([C:31]([O:32][H:58])([H:59])[H:60])([H:61])[C@:33]([O:34][P:35](=[O:36])([O:37][H:62])[O:38][H:63])([H:64])[C@:39]1([O:40][H:65])[H:66])([H:67])[H:68]>>[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:35](=[O:36])([O:37][H:62])[O:38][H:63].[H][O:34][C@:33]1([H:64])[C@:30]([C:31]([O:32][H:58])([H:59])[H:60])([H:61])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:55]):[N:20]:[C:19]([N:18]([H:67])[H:68]):[C:24]:3:[N:25]:[C:26]:2[H:56])([H:57])[C@@:39]1([O:40][H:65])[H:66]
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-C1320 - Reaction Operator C
([#8:34]-[#15:35].[#6@@:30].[#6@:39])>>[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]-[#15:35].([H]-[#8:34].[#6@:30].[#6@@:39])
EVODEX.1-N1659 - Reaction Operator N
[#8:29]1-[#6@:28]-[#6@@:39](-[#6@:33](-[#6@:30]-1(-[#6:31])-[H:61])-[#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38])(-[#8:40])-[H:66]>>[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]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].[H]-[#8:34]-[#6@@:33]1-[#6@:30](-[#6:31])(-[H:61])-[#8:29]-[#6@:28]-[#6@@:39]-1(-[#8:40])-[H:66]
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-R4141
[H][O:11][C:10]([C@:9]1([H:50])[C@:7]([O:8][H:45])([H:46])[C:6]([H:43])([H:44])[C@@:5]([N:4]2:[C:3]([H:41]):[C:2]([C:1]([H:52])([H:53])[H:54]):[C:16](=[O:17]):[N:15]([H:51]):[C:13]:2=[O:14])([H:42])[O:12]1)([H:48])[H:49].[N:18]([C:19]1:[N:20]:[C:21]([H:55]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:56]):[N:27]:2[C@:28]1([H:57])[O:29][C@@:30]([C:31]([O:32][H:58])([H:59])[H:60])([H:61])[C@:33]([O:34][P:35](=[O:36])([O:37][H:62])[O:38][H:63])([H:64])[C@:39]1([O:40][H:65])[H:66])([H:67])[H:68]>>[C:1]([C:2]1:[C:3]([H:41]):[N:4]([C@@:5]2([H:42])[C:6]([H:43])([H:44])[C@@:7]([O:8][H:45])([H:46])[C@:9]([C:10]([O:11][P:35](=[O:36])([O:37][H:62])[O:38][H:63])([H:48])[H:49])([H:50])[O:12]2):[C:13](=[O:14]):[N:15]([H:51]):[C:16]:1=[O:17])([H:52])([H:53])[H:54].[H][O:34][C@:33]1([H:64])[C@:30]([C:31]([O:32][H:58])([H:59])[H:60])([H:61])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:55]):[N:20]:[C:19]([N:18]([H:67])[H:68]):[C:24]:3:[N:25]:[C:26]:2[H:56])([H:57])[C@@:39]1([O:40][H:65])[H:66]