SMIRKS
[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][S:33][C:32]1:[C:31]([H:60]):[C:30]([H:59]):[C:29]([F:28]):[C:35]([H:63]):[C:34]:1[H:62]>>[C:1]([S:33][C:32]1:[C:31]([H:60]):[C:30]([H:59]):[C:29]([F:28]):[C:35]([H:63]):[C:34]:1[H:62])([H:56])([H:57])[H:58].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55]
Derived Operators
EVODEX.1-M23 - Mass Difference
-1.00783
EVODEX.1-E35 - Reaction Operator E
[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:60])(-[H:61])-[H:62].[#16:28](-[#6:29])-[H]>>[#6:1](-[#16:28]-[#6:29])(-[H:60])(-[H:61])-[H:62].[#16:2](-[#6:3])-[#6:10]
EVODEX.1-N283 - Reaction Operator N
[#6:1](-[#16:2](-[#6:3])-[#6:10])(-[H:54])(-[H:55])-[H:56].[H]-[#16:31]-[#6:30]>>[#6:1](-[#16:31]-[#6:30])(-[H:54])(-[H:55])-[H:56].[#16:2](-[#6:3])-[#6:10]
EVODEX.1-Em86 - Reaction Operator Em
[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#16:31]-[#6:30]>>[#6:1]-[#16:31]-[#6:30].[#16:2](-[#6:3])-[#6:10]
EVODEX.1-Nm122 - Reaction Operator Nm
[#6:1]-[#16:2](-[#6:3])-[#6:10].[H]-[#16:31]-[#6:30]>>[#6:1]-[#16:31]-[#6:30].[#16:2](-[#6:3])-[#6:10]
Source Full Reactions
EVODEX.1-R1720
[C:1]([S+:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58].[H][S:33][C:32]1:[C:31]([H:60]):[C:30]([H:59]):[C:29]([F:28]):[C:35]([H:63]):[C:34]:1[H:62]>>[C:1]([S:33][C:32]1:[C:31]([H:60]):[C:30]([H:59]):[C:29]([F:28]):[C:35]([H:63]):[C:34]:1[H:62])([H:56])([H:57])[H:58].[HH].[S:2]([C:3]([C:4]([C@:5]([N:6]([H:36])[H:37])([C:7](=[O:8])[O:9][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[C:10]([C@@:11]1([H:44])[O:12][C@:13]([N:14]2:[C:15]([H:45]):[N:16]:[C:17]3:[C:18]([N:19]([H:46])[H:47]):[N:20]:[C:21]([H:48]):[N:22]:[C:23]:2:3)([H:49])[C@@:24]([O:25][H:50])([H:51])[C@@:26]1([O:27][H:52])[H:53])([H:54])[H:55]