SMIRKS
[C:1](=[C:2]([C@:3]([O:4][H:26])([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27])[S:13][C@:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44]>>[H][S:13][C:6]([C:5]([C@:3]([C:2](=[C:1]([H:43])[H:44])[H:42])([O:4][H:26])[H:41])([H:39])[H:40])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27].[H]O[C:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38]
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-R5198
[C:1](=[C:2]([C@:3]([O:4][H:26])([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27])[S:13][C@:14]1([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38])([H:39])[H:40])[H:41])[H:42])([H:43])[H:44].[H][O:25][H:45]>>[H][S:13][C:6]([C:5]([C@:3]([C:2](=[C:1]([H:43])[H:44])[H:42])([O:4][H:26])[H:41])([H:39])[H:40])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:27].[C:14]1([O:25][H:45])([H:28])[O:15][C@@:16]([C:17]([O:18][H:29])([H:30])[H:31])([H:32])[C@:19]([O:20][H:33])([H:34])[C@@:21]([O:22][H:35])([H:36])[C@:23]1([O:24][H:37])[H:38]