SMIRKS
[O:18]=[P:19]([O:20][H:46])([O:21][H:47])[O:22][C:23]([C@@:24]1([H:48])[O:25][C:26]([O:27][H:49])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]>>[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:19](=[O:18])([O:20][H:46])[O:21][H:47].[H][O:22][C:23]([C@@:24]1([H:48])[O:25][C:26]([O:27][H:49])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]
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-C1323 - Reaction Operator C
[#15:19]-[#8:22]>>[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]-[#15:19].[H]-[#8:22]
EVODEX.1-N1662 - Reaction Operator N
[#8:18]=[#15:19](-[#8:20])(-[#8:21])-[#8:22]-[#6:23]>>[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]-[#15:19](=[#8:18])(-[#8:20])-[#8:21].[H]-[#8:22]-[#6:23]
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-R4145
[H][O:11][C:10]([C@:9]1([H:41])[C@:7]([O:8][H:36])([H:37])[C:6]([H:34])([H:35])[C@@:5]([N:4]2:[C:3]([H:32]):[C:2]([C:1]([H:43])([H:44])[H:45]):[C:16](=[O:17]):[N:15]([H:42]):[C:13]:2=[O:14])([H:33])[O:12]1)([H:39])[H:40].[O:18]=[P:19]([O:20][H:46])([O:21][H:47])[O:22][C:23]([C@@:24]1([H:48])[O:25][C:26]([O:27][H:49])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]>>[C:1]([C:2]1:[C:3]([H:32]):[N:4]([C@@:5]2([H:33])[C:6]([H:34])([H:35])[C@@:7]([O:8][H:36])([H:37])[C@:9]([C:10]([O:11][P:19](=[O:18])([O:20][H:46])[O:21][H:47])([H:39])[H:40])([H:41])[O:12]2):[C:13](=[O:14]):[N:15]([H:42]):[C:16]:1=[O:17])([H:43])([H:44])[H:45].[H][O:22][C:23]([C@@:24]1([H:48])[O:25][C:26]([O:27][H:49])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]