SMIRKS
[C:16]([S+:17]([C:18]([C:19]([C@:20]([N:21]([H:43])[H:44])([C:22](=[O:23])[O:24][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:25]([C@@:26]1([H:51])[O:27][C@:28]([N:29]2:[C:30]([H:52]):[N:31]:[C:32]3:[C:33]([N:34]([H:53])[H:54]):[N:35]:[C:36]([H:55]):[N:37]:[C:38]:2:3)([H:56])[C@@:39]([O:40][H:57])([H:58])[C@@:41]1([O:42][H:59])[H:60])([H:61])[H:62])([H:63])([H:64])[H:65].[H][O:15][C:13]([C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([C:6]([S:7][C:8]([C:9](=[C:10]([C:11]([H:66])([H:67])[H:68])[C:12]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:78])=[O:14]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:8]([C:9](=[C:10]([C:11]([H:66])([H:67])[H:68])[C:12]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([C:13](=[O:14])[O:15][C:16]([H:63])([H:64])[H:65])[H:78])[H:79])([H:80])([H:81])[H:82].[S:17]([C:18]([C:19]([C@:20]([N:21]([H:43])[H:44])([C:22](=[O:23])[O:24][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:25]([C@@:26]1([H:51])[O:27][C@:28]([N:29]2:[C:30]([H:52]):[N:31]:[C:32]3:[C:33]([N:34]([H:53])[H:54]):[N:35]:[C:36]([H:55]):[N:37]:[C:38]:2:3)([H:56])[C@@:39]([O:40][H:57])([H:58])[C@@:41]1([O:42][H:59])[H:60])([H:61])[H:62]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E34 - Reaction Operator E
[#6:21]-[#8:22]-[H].[#6:27](-[#16:28](-[#6:29])-[#6:36])(-[H:98])(-[H:99])-[H:100]>>[#6:21]-[#8:22]-[#6:27](-[H:98])(-[H:99])-[H:100].[#16:28](-[#6:29])-[#6:36]
EVODEX.1-N1082 - Reaction Operator N
[H]-[#8:19]-[#6:18].[#6:25](-[#16:26](-[#6:27])-[#6:34])(-[H:84])(-[H:85])-[H:86]>>[#6:18]-[#8:19]-[#6:25](-[H:84])(-[H:85])-[H:86].[#16:26](-[#6:27])-[#6:34]
EVODEX.1-Em393 - Reaction Operator Em
[H]-[#8:19]-[#6:18].[#6:25]-[#16:26](-[#6:27])-[#6:34]>>[#6:18]-[#8:19]-[#6:25].[#16:26](-[#6:27])-[#6:34]
EVODEX.1-Nm353 - Reaction Operator Nm
[H]-[#8:19]-[#6:18].[#6:25]-[#16:26](-[#6:27])-[#6:34]>>[#6:18]-[#8:19]-[#6:25].[#16:26](-[#6:27])-[#6:34]
Source Full Reactions
EVODEX.1-R1191
[C:16]([S+:17]([C:18]([C:19]([C@:20]([N:21]([H:43])[H:44])([C:22](=[O:23])[O:24][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:25]([C@@:26]1([H:51])[O:27][C@:28]([N:29]2:[C:30]([H:52]):[N:31]:[C:32]3:[C:33]([N:34]([H:53])[H:54]):[N:35]:[C:36]([H:55]):[N:37]:[C:38]:2:3)([H:56])[C@@:39]([O:40][H:57])([H:58])[C@@:41]1([O:42][H:59])[H:60])([H:61])[H:62])([H:63])([H:64])[H:65].[H][O:15][C:13]([C@@:5]([N:4]([C:2]([C:1]([H:80])([H:81])[H:82])=[O:3])[H:79])([C:6]([S:7][C:8]([C:9](=[C:10]([C:11]([H:66])([H:67])[H:68])[C:12]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:78])=[O:14]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([S:7][C:8]([C:9](=[C:10]([C:11]([H:66])([H:67])[H:68])[C:12]([H:69])([H:70])[H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([C:13](=[O:14])[O:15][C:16]([H:63])([H:64])[H:65])[H:78])[H:79])([H:80])([H:81])[H:82].[HH].[S:17]([C:18]([C:19]([C@:20]([N:21]([H:43])[H:44])([C:22](=[O:23])[O:24][H:45])[H:46])([H:47])[H:48])([H:49])[H:50])[C:25]([C@@:26]1([H:51])[O:27][C@:28]([N:29]2:[C:30]([H:52]):[N:31]:[C:32]3:[C:33]([N:34]([H:53])[H:54]):[N:35]:[C:36]([H:55]):[N:37]:[C:38]:2:3)([H:56])[C@@:39]([O:40][H:57])([H:58])[C@@:41]1([O:42][H:59])[H:60])([H:61])[H:62]