SMIRKS
[C:1](=[C:2]([C:3]([C:4](=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24])[S:11][C@:12]1([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35])([H:36])[H:37])[H:38])([H:39])[H:40]>>[H][S:11][C:4]([C:3]([C:2](=[C:1]([H:39])[H:40])[H:38])([H:36])[H:37])=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24].[H]O[C:12]1([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E370 - Reaction Operator E
[#6:8]-[#16:17]-[#6@:18](-[H:37])(-[#8:19])-[#6@:27]>>[#6:8]-[#16:17]-[H].[#8](-[#6@:18](-[H:37])(-[#8:19])-[#6@:27])-[H]
EVODEX.1-N678 - Reaction Operator N
[#6:8]-[#16:18]-[#6@:19](-[H:40])(-[#8:20])-[#6@:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6@:19](-[H:40])(-[#8:20])-[#6@:28]
EVODEX.1-Em636 - Reaction Operator Em
[#6:8]-[#16:18]-[#6:19](-[#8:20])-[#6:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6:19](-[#8:20])-[#6:28]
EVODEX.1-Nm571 - Reaction Operator Nm
[#6:8]-[#16:18]-[#6:19](-[#8:20])-[#6:28]>>[H]-[#16:18]-[#6:8].[H]-[#8]-[#6:19](-[#8:20])-[#6:28]
Source Full Reactions
EVODEX.1-R5197
[C:1](=[C:2]([C:3]([C:4](=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24])[S:11][C@:12]1([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35])([H:36])[H:37])[H:38])([H:39])[H:40].[H][O:23][H:41]>>[H][S:11][C:4]([C:3]([C:2](=[C:1]([H:39])[H:40])[H:38])([H:36])[H:37])=[N:5][O:6][S:7](=[O:8])(=[O:9])[O:10][H:24].[C:12]1([O:23][H:41])([H:25])[O:13][C@@:14]([C:15]([O:16][H:26])([H:27])[H:28])([H:29])[C@:17]([O:18][H:30])([H:31])[C@@:19]([O:20][H:32])([H:33])[C@:21]1([O:22][H:34])[H:35]