SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:39]([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([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:102])([H:103])[H:104])[C:17]([H:61])([H:62])[H:63])[H:101])([H:99])[H:100])([H:97])[H:98])[C:22]([H:64])([H:65])[H:66])[H:96])([H:94])[H:95])([H:92])[H:93])[C:27]([H:67])([H:68])[H:69])[H:91])([H:89])[H:90])([H:87])[H:88])[C:32]([H:70])([H:71])[H:72])[H:86])([H:84])[H:85])([H:82])[H:83])[C:37]([H:73])([H:74])[H:75])[H:81])([H:79])[H:80]>>[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[C:39]([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([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:102])([H:103])[H:104])[C:17]([H:61])([H:62])[H:63])[H:101])([H:99])[H:100])([H:97])[H:98])[C:22]([H:64])([H:65])[H:66])[H:96])([H:94])[H:95])([H:92])[H:93])[C:27]([H:67])([H:68])[H:69])[H:91])([H:89])[H:90])([H:87])[H:88])[C:32]([H:70])([H:71])[H:72])[H:86])([H:84])[H:85])([H:82])[H:83])[C:37]([H:73])([H:74])[H:75])[H:81])([H:79])[H:80]
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-R3338
[H][C:4]([C:2](=[C:1]([H:59])[H:60])[C:3]([H:49])([H:50])[H:51])([C:5]([O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54])([H:55])[H:56])[H:57].[C:15]([C:16]([C:17]([H:61])([H:62])[H:63])=[C:18]([C:19]([C:20]([C:21]([C:22]([H:64])([H:65])[H:66])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:67])([H:68])[H:69])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:70])([H:71])[H:72])=[C:33]([C:34]([C:35]([C:36]([C:37]([H:73])([H:74])[H:75])=[C:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:76])[O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78])([H:79])[H:80])[H:81])([H:82])[H:83])([H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])([H:103])[H:104]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54])([H:55])[H:56])[H:57])([C:39]([C:38](=[C:36]([C:35]([C:34]([C:33](=[C:31]([C:30]([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:102])([H:103])[H:104])[C:17]([H:61])([H:62])[H:63])[H:101])([H:99])[H:100])([H:97])[H:98])[C:22]([H:64])([H:65])[H:66])[H:96])([H:94])[H:95])([H:92])[H:93])[C:27]([H:67])([H:68])[H:69])[H:91])([H:89])[H:90])([H:87])[H:88])[C:32]([H:70])([H:71])[H:72])[H:86])([H:84])[H:85])([H:82])[H:83])[C:37]([H:73])([H:74])[H:75])[H:81])([H:79])[H:80])([H:59])[H:60].[H][O:40][P:41](=[O:42])([O:43][H:76])[O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78]