SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[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:81])([H:82])[H:83])([H:79])[H:80])([H:77])[H:78])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([H:67])[H:68])([H:65])[H:66])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])[H:56])[H:55])([O:17][H:35])[H:54])([N:32]([C:33]([H:49])([H:50])[H:51])[H:52])[H:53])([H:47])[H:48])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:34][H:84]>>[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:35])([C:18]([C:19]([O:34][H:84])([H:47])[H:48])([N:32]([C:33]([H:49])([H:50])[H:51])[H:52])[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]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1095 - Reaction Operator E
[#6:6](-[#6@@:5])(-[#8]-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H:38])-[H:39].[#8:25](-[H:50])-[H]>>[#6:6](-[#6@@:5])(-[#8:25]-[H:50])(-[H:38])-[H:39]
EVODEX.1-C45 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]>>[#6:20]-[#8:50]
EVODEX.1-N1132 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20](-[#6:19])(-[H:62])-[H:63])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]-[H:130]>>[#6:19]-[#6:20](-[#8:50]-[H:130])(-[H:62])-[H:63]
Source Full Reactions
EVODEX.1-R5325
[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:35])([C:18]([C:19]([O:20][C@@:21]1([H:36])[O:22][C@@:23]([C:24]([O:25][H:37])([H:38])[H:39])([H:40])[C@:26]([O:27][H:41])([H:42])[C@@:28]([O:29][H:43])([H:44])[C@:30]1([O:31][H:45])[H:46])([H:47])[H:48])([N:32]([C:33]([H:49])([H:50])[H:51])[H:52])[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][O:34][H:84]>>[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:35])([C:18]([C:19]([O:34][H:84])([H:47])[H:48])([N:32]([C:33]([H:49])([H:50])[H:51])[H:52])[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][O:20][C:21]1([H:36])[O:22][C@@:23]([C:24]([O:25][H:37])([H:38])[H:39])([H:40])[C@:26]([O:27][H:41])([H:42])[C@@:28]([O:29][H:43])([H:44])[C@:30]1([O:31][H:45])[H:46]