SMIRKS
[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:38])[H:39])([C:7](=[O:8])[O:9][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[C:10]([C@@:11]1([H:46])[O:12][C@:13]([N:14]2:[C:15]([H:47]):[N:16]:[C:17]3:[C:18]([N:19]([H:48])[H:49]):[N:20]:[C:21]([H:50]):[N:22]:[C:23]:2:3)([H:51])[C@@:24]([O:25][H:52])([H:53])[C@@:26]1([O:27][H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:28][C:29]1:[C:30]([H:61]):[C:31]([Cl:32]):[C:33]([Cl:34]):[C:35]([H:62]):[C:36]:1[Cl:37]>>[C:1]([O:28][C:29]1:[C:30]([H:61]):[C:31]([Cl:32]):[C:33]([Cl:34]):[C:35]([H:62]):[C:36]:1[Cl:37])([H:58])([H:59])[H:60].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:38])[H:39])([C:7](=[O:8])[O:9][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[C:10]([C@@:11]1([H:46])[O:12][C@:13]([N:14]2:[C:15]([H:47]):[N:16]:[C:17]3:[C:18]([N:19]([H:48])[H:49]):[N:20]:[C:21]([H:50]):[N:22]:[C:23]:2:3)([H:51])[C@@:24]([O:25][H:52])([H:53])[C@@:26]1([O:27][H:54])[H:55])([H:56])[H:57]
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-R1287
[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:38])[H:39])([C:7](=[O:8])[O:9][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[C:10]([C@@:11]1([H:46])[O:12][C@:13]([N:14]2:[C:15]([H:47]):[N:16]:[C:17]3:[C:18]([N:19]([H:48])[H:49]):[N:20]:[C:21]([H:50]):[N:22]:[C:23]:2:3)([H:51])[C@@:24]([O:25][H:52])([H:53])[C@@:26]1([O:27][H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:28][C:29]1:[C:30]([H:61]):[C:31]([Cl:32]):[C:33]([Cl:34]):[C:35]([H:62]):[C:36]:1[Cl:37]>>[C:1]([O:28][C:29]1:[C:30]([H:61]):[C:31]([Cl:32]):[C:33]([Cl:34]):[C:35]([H:62]):[C:36]:1[Cl:37])([H:58])([H:59])[H:60].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:38])[H:39])([C:7](=[O:8])[O:9][H:40])[H:41])([H:42])[H:43])([H:44])[H:45])[C:10]([C@@:11]1([H:46])[O:12][C@:13]([N:14]2:[C:15]([H:47]):[N:16]:[C:17]3:[C:18]([N:19]([H:48])[H:49]):[N:20]:[C:21]([H:50]):[N:22]:[C:23]:2:3)([H:51])[C@@:24]([O:25][H:52])([H:53])[C@@:26]1([O:27][H:54])[H:55])([H:56])[H:57]