SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:43])([C@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:24][C:25]([C:26]([N:27]([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:28]([C:29](=[O:30])[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:53])([H:54])[H:55])([H:56])[H:57])([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])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])[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])([H:105])([H:106])[H:107]>>[H]O[P:21]([O:20][C:19]([C@@:18]([C@@:16]([C:15](=[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:105])([H:106])[H:107])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])[H:80])[H:79])([O:17][H:43])[H:78])([N:28]([C:29](=[O:30])[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:53])([H:54])[H:55])([H:56])[H:57])([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])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:51])[H:52])(=[O:22])[O:23][H:44].[H][O:24][C:25]([C:26]([N:27]([H:45])[H:46])([H:47])[H:48])([H:49])[H:50]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E381 - Reaction Operator E
[#8:7](-[#6@:6])-[#15:8](=[#8:9])(-[#8:10])-[#8:11]>>[#8:7](-[#6@:6])-[H].[#15:8](=[#8:9])(-[#8:10])(-[#8:11])-[#8]-[H]
EVODEX.1-C519 - Reaction Operator C
([#15:13]-[#8:16].[#6@@:9])>>([H]-[#8]-[#15:13].[#6@:9]).[H]-[#8:16]
EVODEX.1-N1748 - Reaction Operator N
[#6:19](-[#6@@:18](-[#6@@:16])(-[#7:28])-[H:77])-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]-[#6:25]>>[H]-[#8]-[#15:21](-[#8:20]-[#6:19]-[#6@@:18](-[#6@@:16])(-[#7:28])-[H:77])(=[#8:22])-[#8:23].[H]-[#8:24]-[#6:25]
EVODEX.1-Em625 - Reaction Operator Em
[#6:6]-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]>>[H]-[#8:7]-[#6:6].[H]-[#8]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]
EVODEX.1-Nm560 - Reaction Operator Nm
[#6:6]-[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]>>[H]-[#8:7]-[#6:6].[H]-[#8]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]
Source Full Reactions
EVODEX.1-R5096
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:43])([C@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:24][C:25]([C:26]([N:27]([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([N:28]([C:29](=[O:30])[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:53])([H:54])[H:55])([H:56])[H:57])([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])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])[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])([H:105])([H:106])[H:107].[H][O:42][H:108]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:43])([C@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:44])[O:42][H:108])([H:51])[H:52])([N:28]([C:29](=[O:30])[C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([H:53])([H:54])[H:55])([H:56])[H:57])([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])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])[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])([H:105])([H:106])[H:107].[H][O:24][C:25]([C:26]([N:27]([H:45])[H:46])([H:47])[H:48])([H:49])[H:50]