SMIRKS
[H][C:4]([C:2](=[C:1]([H:39])[H:40])[C:3]([H:29])([H:30])[H:31])([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37])([C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48])([H:39])[H:40]
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-R3280
[H][C:4]([C:2](=[C:1]([H:39])[H:40])[C:3]([H:29])([H:30])[H:31])([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37].[C:15]([C:16]([C:17]([H:41])([H:42])[H:43])=[C:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:32])[O:10][P:11](=[O:12])([O:13][H:33])[O:14][H:34])([H:35])[H:36])[H:37])([C:19]([C:18](=[C:16]([C:15]([H:50])([H:51])[H:52])[C:17]([H:41])([H:42])[H:43])[H:49])([H:47])[H:48])([H:39])[H:40].[H][O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46]