SMIRKS
[C:1]([S:2][C:3]([C:4]([C@@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:28])([C:17](=[O:18])[O:19][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[H]O[C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27].[H][N:6]([C@:5]([C:4]([C:3]([S:2][C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([C:17](=[O:18])[O:19][H:29])[H:30])[H:28]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E369 - Reaction Operator E
[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28]>>[#6:7](=[#8:8])(-[#8:9])-[#8]-[H].[#7:6](-[#6@@:5])(-[H:28])-[H]
EVODEX.1-N1262 - Reaction Operator N
[#6:4]-[#6@@:5](-[#7:6](-[#6:7](=[#8:8])-[#8:9])-[H:28])(-[#6:17])-[H:30]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6](-[#6@:5](-[#6:4])(-[#6:17])-[H:30])-[H:28]
EVODEX.1-Em649 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm582 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6471
[C:1]([S:2][C:3]([C:4]([C@@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[H:28])([C:17](=[O:18])[O:19][H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][O:20][H:38]>>[C:7](=[O:8])([O:9][C:10]([C:11]1:[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]:1[H:25])([H:26])[H:27])[O:20][H:38].[H][N:6]([C@:5]([C:4]([C:3]([S:2][C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([C:17](=[O:18])[O:19][H:29])[H:30])[H:28]