SMIRKS
[H][C:2]([C:1]([H:52])([H:53])[H:54])([S:3][C:4]([C@:5]([N:6]([H:44])[H:45])([C:7](=[O:8])[O:9][H:46])[H:47])([H:48])[H:49])[H:50].O=[O:27]>>[H][O:27][C:2]([C:1]([H:52])([H:53])[H:54])([S:3][C:4]([C@:5]([N:6]([H:44])[H:45])([C:7](=[O:8])[O:9][H:46])[H:47])([H:48])[H:49])[H:50]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E442 - Reaction Operator E
[#6:2]-[#6:3](-[#16:4])(-[H:31])-[H].[#8:24]=[#8]>>[#6:2]-[#6:3](-[#16:4])(-[#8:24]-[H])-[H:31]
EVODEX.1-N176 - Reaction Operator N
[H]-[#6:3](-[#6:2])(-[#16:4])-[H:46].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])(-[#16:4])-[H:46]
EVODEX.1-Em258 - Reaction Operator Em
[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]
EVODEX.1-Nm256 - Reaction Operator Nm
[H]-[#6:3](-[#6:2])-[#16:4].[#8]=[#8:34]>>[H]-[#8:34]-[#6:3](-[#6:2])-[#16:4]
Source Full Reactions
EVODEX.1-R528
[H][C@:15]1([C@:13]([C@:11]([C:10]([H:41])([H:42])[H:43])([O:12][H:29])[H:40])([O:14][H:30])[H:39])[C:16]([H:32])([H:33])[N:17]([H:34])[C:18]2:[N:19]([H:35]):[C:20](=[N:21][H:36]):[N:22]([H:37]):[C:23](=[O:24]):[C:25]:2[N:26]1[H].[H][C:2]([C:1]([H:52])([H:53])[H:54])([S:3][C:4]([C@:5]([N:6]([H:44])[H:45])([C:7](=[O:8])[O:9][H:46])[H:47])([H:48])[H:49])[H:50].[O:27]=[O:28]>>[C:10]([C@:11]([O:12][H:29])([C@:13]([O:14][H:30])([C:15]1=[N:26][C:25]2:[C:18](:[N:19]([H:35]):[C:20](=[N:21][H:36]):[N:22]([H:37]):[C:23]:2=[O:24])[N:17]([H:34])[C:16]1([H:32])[H:33])[H:39])[H:40])([H:41])([H:42])[H:43].[H][O:27][C:2]([C:1]([H:52])([H:53])[H:54])([S:3][C:4]([C@:5]([N:6]([H:44])[H:45])([C:7](=[O:8])[O:9][H:46])[H:47])([H:48])[H:49])[H:50].[H][O:28][H]