SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:76])([H:77])[H:78])[C:17]([H:51])([H:52])[H:53])[H:75])([H:73])[H:74])([H:71])[H:72])[C:22]([H:54])([H:55])[H:56])[H:70])([H:68])[H:69])([H:66])[H:67])[C:27]([H:57])([H:58])[H:59])[H:65])([H:63])[H:64]>>[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:76])([H:77])[H:78])[C:17]([H:51])([H:52])[H:53])[H:75])([H:73])[H:74])([H:71])[H:72])[C:22]([H:54])([H:55])[H:56])[H:70])([H:68])[H:69])([H:66])[H:67])[C:27]([H:57])([H:58])[H:59])[H:65])([H:63])[H:64]
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-R3281
[H][C:4]([C:2](=[C:1]([H:49])[H:50])[C:3]([H:39])([H:40])[H:41])([C:5]([O:6][P:7](=[O:8])([O:9][H:42])[O:10][P:11](=[O:12])([O:13][H:43])[O:14][H:44])([H:45])[H:46])[H:47].[C:15]([C:16]([C:17]([H:51])([H:52])[H:53])=[C:18]([C:19]([C:20]([C:21]([C:22]([H:54])([H:55])[H:56])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:57])([H:58])[H:59])=[C:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:60])[O:34][P:35](=[O:36])([O:37][H:61])[O:38][H:62])([H:63])[H:64])[H:65])([H:66])[H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])([H:76])([H:77])[H:78]>>[C:1]([C:2]([C:3]([H:39])([H:40])[H:41])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:42])[O:10][P:11](=[O:12])([O:13][H:43])[O:14][H:44])([H:45])[H:46])[H:47])([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:76])([H:77])[H:78])[C:17]([H:51])([H:52])[H:53])[H:75])([H:73])[H:74])([H:71])[H:72])[C:22]([H:54])([H:55])[H:56])[H:70])([H:68])[H:69])([H:66])[H:67])[C:27]([H:57])([H:58])[H:59])[H:65])([H:63])[H:64])([H:49])[H:50].[H][O:30][P:31](=[O:32])([O:33][H:60])[O:34][P:35](=[O:36])([O:37][H:61])[O:38][H:62]