SMIRKS
[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([C:24](=[C:25]([C:26](=[O:27])[O:28][H:37])[H:38])[H:39]):[C:29]([H:40]):[C:30]:1[H:41].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:2]([C:1]([H:58])([H:59])[H:60])[C:3]([H:49])([H:50])[H:51])[H:57])([H:55])[H:56]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([C:24](=[C:25]([C:26](=[O:27])[O:28][H:37])[H:38])[H:39]):[C:29]([H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E709 - Reaction Operator E
[#6:12](-[#6@@:11])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:56])-[H:57].[#6:31]-[#8:32]-[H]>>[#6:12](-[#6@@:11])(-[#8:32]-[#6:31])(-[H:56])-[H:57]
EVODEX.1-C169 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:10].[H]-[#8:20]>>[#6:10]-[#8:20]
EVODEX.1-N1094 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5](-[#6:4])(-[H:35])-[H:36].[H]-[#8:28]-[#6:27]>>[#6:4]-[#6:5](-[#8:28]-[#6:27])(-[H:35])-[H:36]
EVODEX.1-Em512 - Reaction Operator Em
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
EVODEX.1-Nm463 - Reaction Operator Nm
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
Source Full Reactions
EVODEX.1-R3297
[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([C:24](=[C:25]([C:26](=[O:27])[O:28][H:37])[H:38])[H:39]):[C:29]([H:40]):[C:30]:1[H:41].[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([C:24](=[C:25]([C:26](=[O:27])[O:28][H:37])[H:38])[H:39]):[C:29]([H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[H][O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54]