SMIRKS
[H]OP(=O)(O[H])O[C@@:6]1([H:38])[O:7][C@@:8]([C:9]([O:10][H:39])([H:40])[H:41])([H:42])[C@:11]([O:12][H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@:15]1([O:16][H:47])[H:48].[H][O:33][C@:32]1([H:59])[C@:30]([O:31][H:56])([H:57])[C@@:21]([O:22][C:23]2:[C:24]([H:50]):[C:25]([H:51]):[C:26]([O:27][H:52]):[C:28]([H:53]):[C:29]:2[H:54])([H:55])[O:20][C@@:19]([C:18]([O:17][H:64])([H:62])[H:63])([H:49])[C@:34]1([O:35][H:60])[H:61]>>[C@@:6]1([O:33][C:32]2([H:59])[C@:30]([O:31][H:56])([H:57])[C@@:21]([O:22][C:23]3:[C:24]([H:50]):[C:25]([H:51]):[C:26]([O:27][H:52]):[C:28]([H:53]):[C:29]:3[H:54])([H:55])[O:20][C@@:19]([C:18]([O:17][H:64])([H:62])[H:63])([H:49])[C@:34]2([O:35][H:60])[H:61])([H:38])[O:7][C@@:8]([C:9]([O:10][H:39])([H:40])[H:41])([H:42])[C@:11]([O:12][H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@:15]1([O:16][H:47])[H:48]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
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-R3132
[O:1]=[P:2]([O:3][H:36])([O:4][H:37])[O:5][C@@:6]1([H:38])[O:7][C@@:8]([C:9]([O:10][H:39])([H:40])[H:41])([H:42])[C@:11]([O:12][H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@:15]1([O:16][H:47])[H:48].[H][O:33][C@:32]1([H:59])[C@:30]([O:31][H:56])([H:57])[C@@:21]([O:22][C:23]2:[C:24]([H:50]):[C:25]([H:51]):[C:26]([O:27][H:52]):[C:28]([H:53]):[C:29]:2[H:54])([H:55])[O:20][C@@:19]([C:18]([O:17][H:64])([H:62])[H:63])([H:49])[C@:34]1([O:35][H:60])[H:61]>>[C@@:6]1([O:33][C:32]2([H:59])[C@:30]([O:31][H:56])([H:57])[C@@:21]([O:22][C:23]3:[C:24]([H:50]):[C:25]([H:51]):[C:26]([O:27][H:52]):[C:28]([H:53]):[C:29]:3[H:54])([H:55])[O:20][C@@:19]([C:18]([O:17][H:64])([H:62])[H:63])([H:49])[C@:34]2([O:35][H:60])[H:61])([H:38])[O:7][C@@:8]([C:9]([O:10][H:39])([H:40])[H:41])([H:42])[C@:11]([O:12][H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@:15]1([O:16][H:47])[H:48].[H][O:5][P:2](=[O:1])([O:3][H:36])[O:4][H:37]