SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:20]([C:19](=[C:17]([C:16]([C:15]([C@@:14]1([H:62])[C:2]([C:1]([H:63])([H:64])[H:65])=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@@:12]21[C:13]([H:46])([H:47])[H:48])([H:60])[H:61])([H:58])[H:59])[C:18]([H])([H:49])[H:50])[H:57])([H:55])[H:56]>>[C:1]([C:2]1=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@:12]2([C:13]([H:46])([H:47])[H:48])[C@:14]1([C:15]([C:16]([C:17](=[C:18]([H:49])[H:50])[C:19](=[C:20]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])([H:63])([H:64])[H:65]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E711 - Reaction Operator E
[#6:12](-[#6:13](-[H:32])(-[H:33])-[H])=[#6:14]-[#6:16](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39]
EVODEX.1-C1452 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:20].[#6:18]-[H].[#6@@:14])>>([#6:18].[#6:20].[#6@:14])
EVODEX.1-N1860 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:20](-[#6:19]=[#6:17]-[#6:18](-[H])(-[H:49])-[H:50])(-[H:55])-[H:56].[#6:15]-[#6@@:14](-[H:62])(-[#6:2])-[#6@:12])>>([#6:2]-[#6@@:14](-[#6@:12])(-[#6:15])-[H:62].[#6:17](=[#6:18](-[H:49])-[H:50])-[#6:19]=[#6:20](-[H:55])-[H:56])
EVODEX.1-Em774 - Reaction Operator Em
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
EVODEX.1-Nm695 - Reaction Operator Nm
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
Source Full Reactions
EVODEX.1-R7064
[H][C:18]([C:17]([C:16]([C:15]([C@@:14]1([H:62])[C:2]([C:1]([H:63])([H:64])[H:65])=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@@:12]21[C:13]([H:46])([H:47])[H:48])([H:60])[H:61])([H:58])[H:59])=[C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54])([H:55])[H:56])[H:57])([H:49])[H:50]>>[C:1]([C:2]1=[C:3]([H:30])[C:4]([H:31])([H:32])[C@@:5]2([H:33])[C:6]([C:7]([H:34])([H:35])[H:36])([C:8]([H:37])([H:38])[H:39])[C:9]([H:40])([H:41])[C:10]([H:42])([H:43])[C:11]([H:44])([H:45])[C@:12]2([C:13]([H:46])([H:47])[H:48])[C@:14]1([C:15]([C:16]([C:17](=[C:18]([H:49])[H:50])[C:19](=[C:20]([H:55])[H:56])[H:57])([H:58])[H:59])([H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:21][P:22](=[O:23])([O:24][H:52])[O:25][P:26](=[O:27])([O:28][H:53])[O:29][H:54]