SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:28]([C:27](=[C:25]([C:24]([C:23]([C:22](=[C:20]([C:19]([O:18][C:16]([C:15]([H:69])([H:70])[H:71])=[O:17])([H:67])[H:68])[C:21]([H:50])([H:51])[H:52])[H:66])([H:64])[H:65])([H:62])[H:63])[C:26]([H:53])([H:54])[H:55])[H:61])([H:59])[H:60]>>[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[C:28]([C:27](=[C:25]([C:24]([C:23]([C:22](=[C:20]([C:19]([O:18][C:16]([C:15]([H:69])([H:70])[H:71])=[O:17])([H:67])[H:68])[C:21]([H:50])([H:51])[H:52])[H:66])([H:64])[H:65])([H:62])[H:63])[C:26]([H:53])([H:54])[H:55])[H:61])([H:59])[H:60]
Derived Operators
EVODEX.1-M106 - Mass Difference
68.06264
EVODEX.1-E653 - Reaction Operator E
[#6:38]-[#6:39](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:79])-[H:80]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])(-[#6:39](-[#6:38])(-[H:79])-[H:80])(-[H])-[H]
EVODEX.1-C394 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:39]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6:39]
EVODEX.1-N471 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:39](-[#6:38])(-[H:79])-[H:80]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6:39](-[#6:38])(-[H:79])-[H:80]
EVODEX.1-Em508 - Reaction Operator Em
[#15]-[#8]-[#6:39]-[#6:38]>>[#6]-[#6](-[H])(-[H])-[#6:39]-[#6:38]
EVODEX.1-Nm459 - Reaction Operator Nm
[#15]-[#8]-[#6:39]-[#6:38]>>[#6]-[#6](-[H])(-[H])-[#6:39]-[#6:38]
Source Full Reactions
EVODEX.1-R3285
[H][C:4]([C:2](=[C:1]([H:48])[H:49])[C:3]([H:38])([H:39])[H:40])([C:5]([O:6][P:7](=[O:8])([O:9][H:41])[O:10][P:11](=[O:12])([O:13][H:42])[O:14][H:43])([H:44])[H:45])[H:46].[C:15]([C:16](=[O:17])[O:18][C:19]([C:20]([C:21]([H:50])([H:51])[H:52])=[C:22]([C:23]([C:24]([C:25]([C:26]([H:53])([H:54])[H:55])=[C:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:56])[O:33][P:34](=[O:35])([O:36][H:57])[O:37][H:58])([H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71]>>[C:1]([C:2]([C:3]([H:38])([H:39])[H:40])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:41])[O:10][P:11](=[O:12])([O:13][H:42])[O:14][H:43])([H:44])[H:45])[H:46])([C:28]([C:27](=[C:25]([C:24]([C:23]([C:22](=[C:20]([C:19]([O:18][C:16]([C:15]([H:69])([H:70])[H:71])=[O:17])([H:67])[H:68])[C:21]([H:50])([H:51])[H:52])[H:66])([H:64])[H:65])([H:62])[H:63])[C:26]([H:53])([H:54])[H:55])[H:61])([H:59])[H:60])([H:48])[H:49].[H][O:29][P:30](=[O:31])([O:32][H:56])[O:33][P:34](=[O:35])([O:36][H:57])[O:37][H:58]