SMIRKS
[N:1]([C:2]([C:3](=[O:4])[N:5]([C@@:6]([C:7]([S:8][H:18])([H:19])[H:20])([C:9](=[O:10])[N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30]>>[H][N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24].[H]O[C:3]([C:2]([N:1]([H:29])[H:30])([H:27])[H:28])=[O:4].[H]O[C:9]([C@@:6]([N:5]([H])[H:26])([C:7]([S:8][H:18])([H:19])[H:20])[H:25])=[O:10]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E873 - Reaction Operator E
[#7:15](-[#6@:9])(-[#6:16](=[#8:17])-[#6@@:18]-[#7:19](-[#6:20](=[#8:21])-[#6@:22])-[H:117])-[H:124]>>[#6:16](=[#8:17])(-[#6@@:18]-[#7:19](-[H:117])-[H])-[#8]-[H].[#6:20](=[#8:21])(-[#6@:22])-[#8]-[H].[#7:15](-[#6@:9])(-[H:124])-[H]
EVODEX.1-C903 - Reaction Operator C
([#7:6]-[#6:7].[#6:58]-[#7:60])>>[H]-[#8]-[#6:7].([H]-[#8]-[#6:58].[#7:6]-[H]).[H]-[#7:60]
EVODEX.1-N1382 - Reaction Operator N
[#6:38](-[#6@:5])(=[#8:39])-[#7:40](-[#6@@:41]-[#6:49](=[#8:50])-[#7:51](-[#6@@:52])-[H:116])-[H:118]>>[H]-[#8]-[#6:38](-[#6@:5])=[#8:39].[H]-[#8]-[#6:49](-[#6@@:41]-[#7:40](-[H])-[H:118])=[#8:50].[H]-[#7:51](-[#6@@:52])-[H:116]
EVODEX.1-Em640 - Reaction Operator Em
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
EVODEX.1-Cm154 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64])>>[#8]-[#6:7].([#8]-[#6:62].[#7:6]-[H]).[H]-[#7:64]
EVODEX.1-Nm575 - Reaction Operator Nm
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
Source Full Reactions
EVODEX.1-R5431
[N:1]([C:2]([C:3](=[O:4])[N:5]([C@@:6]([C:7]([S:8][H:18])([H:19])[H:20])([C:9](=[O:10])[N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30].[H][O:16][H:31].[H][O:17][H:33]>>[H][N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24].[N:1]([C:2]([C:3](=[O:4])[O:16][H:31])([H:27])[H:28])([H:29])[H:30].[H][N:5]([C@@:6]([C:7]([S:8][H:18])([H:19])[H:20])([C:9](=[O:10])[O:17][H:33])[H:25])[H:26]