SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:10]([C:9]([C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:40])([H:41])[H:42])[C:3]([H:21])([H:22])[H:23])[H:39])([H:37])[H:38])([H:35])[H:36])([C:8]([H:24])([H:25])[H:26])[H:34])([H:32])[H:33])([H:30])[H:31].[H][O:20][H:43]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:24])([H:25])[H:26])([C:9]([C:10]([O:20][H:43])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([H:40])([H:41])[H:42]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E708 - Reaction Operator E
[#6:9](-[#6@@:8])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:33])-[H:34].[#8:26](-[H:42])-[H]>>[#6:9](-[#6@@:8])(-[#8:26]-[H:42])(-[H:33])-[H:34]
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-N1096 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:10](-[#6:9])(-[H:30])-[H:31].[H]-[#8:20]-[H:43]>>[#6:9]-[#6:10](-[#8:20]-[H:43])(-[H:30])-[H:31]
EVODEX.1-Em104 - Reaction Operator Em
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
EVODEX.1-Nm137 - Reaction Operator Nm
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
Source Full Reactions
EVODEX.1-R5135
[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:24])([H:25])[H:26])([C:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:27])[O:15][P:16](=[O:17])([O:18][H:28])[O:19][H:29])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([H:40])([H:41])[H:42].[H][O:20][H:43]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:24])([H:25])[H:26])([C:9]([C:10]([O:20][H:43])([H:30])[H:31])([H:32])[H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:39])([H:40])([H:41])[H:42].[H][O:11][P:12](=[O:13])([O:14][H:27])[O:15][P:16](=[O:17])([O:18][H:28])[O:19][H:29]