SMIRKS
[H][C:18]([N:17]([C:15]([C@:4]([C:3]([S:2][C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([H:36])[H:37])([C:12](=[O:13])[O:14][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46].[H][O:31][C:30]1=[C:32]([O:33][H])[C:23](=[O:22])[O:24][C@@:25]1([C@@:26]([O:27][H:55])([C:28]([O:29][H:56])([H:57])[H:58])[H:59])[H:60]>>[H]O[C:18]([N:17]([C:15]([C@:4]([C:3]([S:2][C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([H:36])[H:37])([C:12](=[O:13])[O:14][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46].[O:22]=[C:23]1[O:24][C@@:25]([C@@:26]([O:27][H:55])([C:28]([O:29][H:56])([H:57])[H:58])[H:59])([H:60])[C:30](=[O:31])[C:32]1=[O:33]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E429 - Reaction Operator E
[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H]>>[#7:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30]
EVODEX.1-C222 - Reaction Operator C
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[H]-[#8]-[#6:4]
EVODEX.1-N200 - Reaction Operator N
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])(-[#7:5])-[H:43]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])(-[#7:5])-[H:43]
EVODEX.1-Em282 - Reaction Operator Em
[H]-[#8:24]-[#6:23]=[#6:25](-[#8:26]-[H])-[#6:16]=[#8:15].[H]-[#6:4](-[#6:2])-[#7:5]>>[#8:15]=[#6:16]-[#6:25](-[#6:23]=[#8:24])=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
EVODEX.1-Cm200 - Reaction Operator Cm
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[#8]-[#6:4]
EVODEX.1-Nm280 - Reaction Operator Nm
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])-[#7:5]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
Source Full Reactions
EVODEX.1-R557
[H][C:18]([N:17]([C:15]([C@:4]([C:3]([S:2][C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([H:36])[H:37])([C:12](=[O:13])[O:14][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46].[H][O:31][C:30]1=[C:32]([O:33][H])[C:23](=[O:22])[O:24][C@@:25]1([C@@:26]([O:27][H:55])([C:28]([O:29][H:56])([H:57])[H:58])[H:59])[H:60].[O:34]=[O:35]>>[H][O:34][C:18]([N:17]([C:15]([C@:4]([C:3]([S:2][C:1]([H:52])([H:53])[H:54])([H:50])[H:51])([N:5]([C:6](=[O:7])[C:8]([C:9]([C@:10]([N:11]([H:36])[H:37])([C:12](=[O:13])[O:14][H:38])[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])[H:49])=[O:16])[H:48])([C:19](=[O:20])[O:21][H:45])[H:46].[O:22]=[C:23]1[O:24][C@@:25]([C@@:26]([O:27][H:55])([C:28]([O:29][H:56])([H:57])[H:58])[H:59])([H:60])[C:30](=[O:31])[C:32]1=[O:33].[H][O:35][H]