SMIRKS
[H][C:5]([C:2](=[C:1]([H:47])[H:48])[C:3]([C:4]([H:35])([H:36])[H:37])([H:38])[H:39])([C:6]([O:7][P:8](=[O:9])([O:10][H:40])[O:11][P:12](=[O:13])([O:14][H:41])[O:15][H:42])([H:43])[H:44])[H:45].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([H:66])([H:67])[H:68])[C:18]([H:49])([H:50])[H:51])[H:65])([H:63])[H:64])([H:61])[H:62])[C:23]([H:52])([H:53])[H:54])[H:60])([H:58])[H:59]>>[C:1]([C:2]([C:3]([C:4]([H:35])([H:36])[H:37])([H:38])[H:39])=[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:40])[O:11][P:12](=[O:13])([O:14][H:41])[O:15][H:42])([H:43])[H:44])[H:45])([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([H:66])([H:67])[H:68])[C:18]([H:49])([H:50])[H:51])[H:65])([H:63])[H:64])([H:61])[H:62])[C:23]([H:52])([H:53])[H:54])[H:60])([H:58])[H:59])([H:47])[H:48]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E714 - Reaction Operator E
[#6:1](=[#6:2]-[#6:4](-[#6:5])(-[H:60])-[H])(-[H:62])-[H:63].[#6:33]-[#6:34](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63]
EVODEX.1-C393 - Reaction Operator C
([H]-[#6:5].[#6:1]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:30]>>([#6:1]-[#6:30].[#6:5])
EVODEX.1-N470 - Reaction Operator N
[H]-[#6:5](-[#6:2]=[#6:1](-[H:52])-[H:53])(-[#6:6])-[H:50].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:30](-[#6:29])(-[H:66])-[H:67]>>[#6:1](-[#6:2]=[#6:5](-[#6:6])-[H:50])(-[#6:30](-[#6:29])(-[H:66])-[H:67])(-[H:52])-[H:53]
EVODEX.1-Em507 - Reaction Operator Em
[H]-[#6:5](-[#6:2]=[#6:1])-[#6:6].[#15]-[#8]-[#6:30]-[#6:29]>>[#6:1](-[#6:2]=[#6:5]-[#6:6])-[#6:30]-[#6:29]
EVODEX.1-Nm458 - Reaction Operator Nm
[H]-[#6:5](-[#6:2]=[#6:1])-[#6:6].[#15]-[#8]-[#6:30]-[#6:29]>>[#6:1](-[#6:2]=[#6:5]-[#6:6])-[#6:30]-[#6:29]
Source Full Reactions
EVODEX.1-R3335
[H][C:5]([C:2](=[C:1]([H:47])[H:48])[C:3]([C:4]([H:35])([H:36])[H:37])([H:38])[H:39])([C:6]([O:7][P:8](=[O:9])([O:10][H:40])[O:11][P:12](=[O:13])([O:14][H:41])[O:15][H:42])([H:43])[H:44])[H:45].[C:16]([C:17]([C:18]([H:49])([H:50])[H:51])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:52])([H:53])[H:54])=[C:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:55])[O:30][P:31](=[O:32])([O:33][H:56])[O:34][H:57])([H:58])[H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[H:65])([H:66])([H:67])[H:68]>>[C:1]([C:2]([C:3]([C:4]([H:35])([H:36])[H:37])([H:38])[H:39])=[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:40])[O:11][P:12](=[O:13])([O:14][H:41])[O:15][H:42])([H:43])[H:44])[H:45])([C:25]([C:24](=[C:22]([C:21]([C:20]([C:19](=[C:17]([C:16]([H:66])([H:67])[H:68])[C:18]([H:49])([H:50])[H:51])[H:65])([H:63])[H:64])([H:61])[H:62])[C:23]([H:52])([H:53])[H:54])[H:60])([H:58])[H:59])([H:47])[H:48].[H][O:26][P:27](=[O:28])([O:29][H:55])[O:30][P:31](=[O:32])([O:33][H:56])[O:34][H:57]