SMIRKS
[H]OP(=O)(O[H])O[C@@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42].[H][O:6][C@:5]([C@:3]([C:2](=[O:1])[H:52])([O:4][H:43])[H:51])([C@:7]([O:8][H:45])([C@:9]([O:10][H:46])([C:11](=[O:12])[O:13][H:47])[H:48])[H:49])[H:50]>>[O:1]=[C:2]([C@:3]([O:4][H:43])([C@@:5]([O:6][C@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42])([C@:7]([O:8][H:45])([C@:9]([O:10][H:46])([C:11](=[O:12])[O:13][H:47])[H:48])[H:49])[H:50])[H:51])[H:52]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E854 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6@:16](-[H:29])(-[#8:17])-[#6@:25].[#8:8](-[#6@:7])-[H]>>[#8:8](-[#6@:7])-[#6:16](-[H:29])(-[#8:17])-[#6@:25]
EVODEX.1-C871 - Reaction Operator C
[H]-[#8:9]-[#6@:8].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@:17]>>[#8:9](-[#6@@:8])-[#6@:17]
EVODEX.1-N1093 - Reaction Operator N
[H]-[#8:9]-[#6@:8](-[#6@:6])(-[#6:10])-[H:33].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@:17](-[H:42])(-[#8:18])-[#6@:26]>>[#8:9](-[#6@:8](-[#6@:6])(-[#6:10])-[H:33])-[#6@:17](-[H:42])(-[#8:18])-[#6@:26]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3146
[O:14]=[P:15]([O:16][H:30])([O:17][H:31])[O:18][C@@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42].[H][O:6][C@:5]([C@:3]([C:2](=[O:1])[H:52])([O:4][H:43])[H:51])([C@:7]([O:8][H:45])([C@:9]([O:10][H:46])([C:11](=[O:12])[O:13][H:47])[H:48])[H:49])[H:50]>>[H][O:18][P:15](=[O:14])([O:16][H:30])[O:17][H:31].[O:1]=[C:2]([C@:3]([O:4][H:43])([C@@:5]([O:6][C@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42])([C@:7]([O:8][H:45])([C@:9]([O:10][H:46])([C:11](=[O:12])[O:13][H:47])[H:48])[H:49])[H:50])[H:51])[H:52]