SMIRKS
[H][O:9][C@:8]([C@:6]([C@@:4]([C@@:2]([C:1]([H:37])([H:38])[H:39])([O:3][H:28])[H:36])([O:5][H:29])[H:35])([O:7][H:30])[H:34])([C:10](=[O:11])[H:32])[H:33].[H]OP(=O)(O[H])O[C@:17]1([H:42])[O:18][C@@:19]([C:20]([O:21][H:43])([H:44])[H:45])([H:46])[C@:22]([O:23][H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@:26]1([O:27][H:51])[H:52]>>[C:1]([C@@:2]([O:3][H:28])([C@@:4]([O:5][H:29])([C@:6]([O:7][H:30])([C@@:8]([O:9][C@:17]1([H:42])[O:18][C@@:19]([C:20]([O:21][H:43])([H:44])[H:45])([H:46])[C@:22]([O:23][H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@:26]1([O:27][H:51])[H:52])([C:10](=[O:11])[H:32])[H:33])[H:34])[H:35])[H:36])([H:37])([H:38])[H:39]
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-R3231
[H][O:9][C@:8]([C@:6]([C@@:4]([C@@:2]([C:1]([H:37])([H:38])[H:39])([O:3][H:28])[H:36])([O:5][H:29])[H:35])([O:7][H:30])[H:34])([C:10](=[O:11])[H:32])[H:33].[O:12]=[P:13]([O:14][H:40])([O:15][H:41])[O:16][C@:17]1([H:42])[O:18][C@@:19]([C:20]([O:21][H:43])([H:44])[H:45])([H:46])[C@:22]([O:23][H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@:26]1([O:27][H:51])[H:52]>>[C:1]([C@@:2]([O:3][H:28])([C@@:4]([O:5][H:29])([C@:6]([O:7][H:30])([C@@:8]([O:9][C@:17]1([H:42])[O:18][C@@:19]([C:20]([O:21][H:43])([H:44])[H:45])([H:46])[C@:22]([O:23][H:47])([H:48])[C@@:24]([O:25][H:49])([H:50])[C@:26]1([O:27][H:51])[H:52])([C:10](=[O:11])[H:32])[H:33])[H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][O:16][P:13](=[O:12])([O:14][H:40])[O:15][H:41]