SMIRKS
[H][O:10][P:8]([O:7][C:6]([C:5]([C:4]([C:3]([C:2]#[C:1][H:53])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:9])[O:11][H:44]>>[H]OP(=O)(O[H])[O:10][P:8]([O:7][C:6]([C:5]([C:4]([C:3]([C:2]#[C:1][H:53])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:9])[O:11][H:44]
Derived Operators
EVODEX.1-F273 - Elemental Balance
| P | 1 |
| O | 3 |
| H | 1 |
EVODEX.1-M13 - Mass Difference
79.96633
EVODEX.1-E1022 - Reaction Operator E
[#15:24]-[#8:26]-[H]>>[#15:24]-[#8:26]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N17 - Reaction Operator N
[H]-[#8:18]-[#15:16]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]-[#15:16]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4271
[H][O:10][P:8]([O:7][C:6]([C:5]([C:4]([C:3]([C:2]#[C:1][H:53])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:9])[O:11][H:44].[N:12]([C:13]1:[N:14]:[C:15]([H:54]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:55]):[N:21]:2[C@:22]1([H:56])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:57])[O:30][P:31](=[O:32])([O:33][H:58])[O:34][P:35](=[O:36])([O:37][H:59])[O:38][H:60])([H:61])[H:62])([H:63])[C@:39]([O:40][H:64])([H:65])[C@:41]1([O:42][H:66])[H:67])([H:68])[H:69]>>[C:1](#[C:2][C:3]([C:4]([C:5]([C:6]([O:7][P:8](=[O:9])([O:10][P:35](=[O:36])([O:37][H:59])[O:38][H:60])[O:11][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[H:53].[H][O:34][P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:63])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:54]):[N:14]:[C:13]([N:12]([H:68])[H:69]):[C:18]:3:[N:19]:[C:20]:2[H:55])([H:56])[C@@:41]([O:42][H:66])([H:67])[C@@:39]1([O:40][H:64])[H:65])([H:61])[H:62])(=[O:28])[O:29][H:57])(=[O:32])[O:33][H:58]