SMIRKS
[C:1]([S:2][C:3]([C:4]([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26])[S:13][C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46]>>[H]O[C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37].[H][S:13][C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26]
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-R5200
[C:1]([S:2][C:3]([C:4]([C:5]([C:6](=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26])[S:13][C@:14]1([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[H][O:25][H:47]>>[C@@:14]1([O:25][H:47])([H:27])[O:15][C@@:16]([C:17]([O:18][H:28])([H:29])[H:30])([H:31])[C@:19]([O:20][H:32])([H:33])[C@@:21]([O:22][H:34])([H:35])[C@:23]1([O:24][H:36])[H:37].[H][S:13][C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])=[N:7][O:8][S:9](=[O:10])(=[O:11])[O:12][H:26]