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])[O:18][C:19]([C:20]([O:21][C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:29]([O:30][C@:31]1([H:60])[O:32][C@@:33]([C:34]([O:35][H:61])([H:62])[H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@@:38]([O:39][S:40](=[O:41])(=[O:42])[O:43][H:67])([H:68])[C@:44]1([O:45][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]O[C@@:38]1([H:68])[C@:36]([O:37][H:65])([H:66])[C@:33]([C:34]([O:35][H:61])([H:62])[H:63])([H:64])[O:32][C@:31]([O:30][C:29]([C:19]([O: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:102])([H:103])[H:104])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85])([H:82])[H:83])([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])([H:74])[H:75])=[O:17])([C:20]([O:21][C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])[H:73])([H:71])[H:72])([H:60])[C@@:44]1([O:45][H:69])[H:70].[H][O:39][S:40](=[O:41])(=[O:42])[O:43][H:67]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E365 - Reaction Operator E
[#8:43](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[#16:44]>>[#8](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[H].[#8:43](-[#16:44])-[H]
EVODEX.1-C1383 - Reaction Operator C
[#8:39]-[#6@:38](-[#6@@:36]-[#6@@:33])-[#6@:44]>>[H]-[#8]-[#6@@:38](-[#6@:36]-[#6@:33])-[#6@@:44].[H]-[#8:39]
EVODEX.1-N1758 - Reaction Operator N
[#8:32]1-[#6@:31]-[#6@@:44](-[#6@:38](-[#6@:36](-[#6@:33]-1(-[#6:34])-[H:64])(-[#8:37])-[H:66])(-[#8:39]-[#16:40])-[H:68])(-[#8:45])-[H:70]>>[H]-[#8]-[#6@@:38]1(-[H:68])-[#6@:36](-[#8:37])(-[H:66])-[#6@:33](-[#6:34])(-[H:64])-[#8:32]-[#6@:31]-[#6@@:44]-1(-[#8:45])-[H:70].[H]-[#8:39]-[#16:40]
EVODEX.1-Em628 - Reaction Operator Em
[#6:36]-[#6:38](-[#8:39]-[#16:40])-[#6:44]>>[H]-[#8]-[#6:38](-[#6:36])-[#6:44].[H]-[#8:39]-[#16:40]
EVODEX.1-Nm563 - Reaction Operator Nm
[#6:36]-[#6:38](-[#8:39]-[#16:40])-[#6:44]>>[H]-[#8]-[#6:38](-[#6:36])-[#6:44].[H]-[#8:39]-[#16:40]
Source Full Reactions
EVODEX.1-R5134
[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])[O:18][C:19]([C:20]([O:21][C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:29]([O:30][C@:31]1([H:60])[O:32][C@@:33]([C:34]([O:35][H:61])([H:62])[H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@@:38]([O:39][S:40](=[O:41])(=[O:42])[O:43][H:67])([H:68])[C@:44]1([O:45][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][O:46][H:105]>>[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])[O:18][C:19]([C:20]([O:21][C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([C:29]([O:30][C@:31]1([H:60])[O:32][C@@:33]([C:34]([O:35][H:61])([H:62])[H:63])([H:64])[C@@:36]([O:37][H:65])([H:66])[C@@:38]([O:46][H:105])([H:68])[C@:44]1([O:45][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][O:39][S:40](=[O:41])(=[O:42])[O:43][H:67]