SMIRKS
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:48])([H:49])[H:50])([O:3][H:39])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:31](=[O:32])([O:33][H:60])[O:34][H:61]>>[C:1]([C@@:2]([O:3][H:39])([C:4]([C:5]([O:6][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:41])[H:42])([H:43])[H:44])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-F443 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -9 |
| N | -3 |
| H | -15 |
EVODEX.1-M426 - Mass Difference
-387.02335
EVODEX.1-E1252 - Reaction Operator E
[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1)(-[H])-[H].[#8:29](-[#6:30])-[H]>>[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8:29]-[#6:30]
EVODEX.1-C878 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:21].[H]-[#8:29]>>[#15:21]-[#8:29]
EVODEX.1-N1104 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:21](=[#8:22])(-[#8:23])-[#8:24].[H]-[#8:29]-[#6:30]>>[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8:29]-[#6:30]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4027
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:48])([H:49])[H:50])([O:3][H:39])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:43])[H:44])([H:41])[H:42].[N:11]([C:12]1:[C:13]([H:51]):[C:14]([H:52]):[N:15]([C@@:16]2([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:58])[O:26][P:27](=[O:28])([O:29][H:59])[O:30][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:62])[H:63])([H:64])[O:35]2):[C:36](=[O:37]):[N:38]:1)([H:65])[H:66]>>[C:1]([C@@:2]([O:3][H:39])([C:4]([C:5]([O:6][P:31](=[O:32])([O:33][H:60])[O:34][H:61])([H:41])[H:42])([H:43])[H:44])[C:7]([C:8](=[O:9])[O:10][H:45])([H:46])[H:47])([H:48])([H:49])[H:50].[H][O:30][P:27]([O:26][P:23]([O:22][C:21]([C@:20]1([H:64])[C@:18]([O:19][H:56])([H:57])[C:17]([H:54])([H:55])[C@@:16]([N:15]2:[C:14]([H:52]):[C:13]([H:51]):[C:12]([N:11]([H:65])[H:66]):[N:38]:[C:36]:2=[O:37])([H:53])[O:35]1)([H:62])[H:63])(=[O:24])[O:25][H:58])(=[O:28])[O:29][H:59]