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:37])([C:18]([C:19]([O:20][C@@:21]1([H:38])[O:22][C@@:23]([C:24]([O:25][H:39])([H:40])[H:41])([H:42])[C@:26]([O:27][H:43])([H:44])[C@@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50])([N:32]([C:33]([C:34]([C:35]([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:84])([H:85])[H:86])([H:87])([H:88])[H:89]>>[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:87])([H:88])[H:89])([H:85])[H:86])([H:83])[H:84])([H:81])[H:82])([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:62])[H:61])([O:17][H:37])[H:60])([N:32]([C:33]([C:34]([C:35]([H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])[H:59])([H:49])[H:50].[H][O:20][C:21]1([H:38])[O:22][C@@:23]([C:24]([O:25][H:39])([H:40])[H:41])([H:42])[C@:26]([O:27][H:43])([H:44])[C@@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E383 - Reaction Operator E
[#6:4]-[#6:5](-[#8:6]-[#6@:7](-[H:19])(-[#8:8])-[#6@:16])(-[H:30])-[H:31]>>[#6:4]-[#6:5](-[#8]-[H])(-[H:30])-[H:31].[#8:6](-[#6:7](-[H:19])(-[#8:8])-[#6@:16])-[H]
EVODEX.1-N1249 - Reaction Operator N
[#6:18]-[#6:19](-[#8:20]-[#6@@:21](-[H:38])(-[#8:22])-[#6@:30])(-[H:49])-[H:50]>>[H]-[#8]-[#6:19](-[#6:18])(-[H:49])-[H:50].[H]-[#8:20]-[#6:21](-[H:38])(-[#8:22])-[#6@:30]
EVODEX.1-Em115 - Reaction Operator Em
[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]
EVODEX.1-Nm147 - Reaction Operator Nm
[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]
Source Full Reactions
EVODEX.1-R5326
[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:37])([C:18]([C:19]([O:20][C@@:21]1([H:38])[O:22][C@@:23]([C:24]([O:25][H:39])([H:40])[H:41])([H:42])[C@:26]([O:27][H:43])([H:44])[C@@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48])([H:49])[H:50])([N:32]([C:33]([C:34]([C:35]([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:84])([H:85])[H:86])([H:87])([H:88])[H:89].[H][O:36][H:90]>>[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:37])([C:18]([C:19]([O:36][H:90])([H:49])[H:50])([N:32]([C:33]([C:34]([C:35]([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:84])([H:85])[H:86])([H:87])([H:88])[H:89].[H][O:20][C:21]1([H:38])[O:22][C@@:23]([C:24]([O:25][H:39])([H:40])[H:41])([H:42])[C@:26]([O:27][H:43])([H:44])[C@@:28]([O:29][H:45])([H:46])[C@:30]1([O:31][H:47])[H:48]