SMIRKS
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:18])[H:19])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:20])([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:20])([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])[H:25])[H:26])[H:19].[H]O[C:7](=[O:8])[H:18]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E347 - Reaction Operator E
[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8]-[H])-[H:9]
EVODEX.1-N86 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6484
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[H:18])[H:19])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:20])([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:17][H:34]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([H:27])[H:28])([C:9](=[O:10])[N:11]([C@@:12]([C:13]([H:20])([H:21])[H:22])([C:14](=[O:15])[O:16][H:23])[H:24])[H:25])[H:26])[H:19].[C:7](=[O:8])([O:17][H:34])[H:18]