SMIRKS
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9](=[C:10]([C:11]1:[C:12]([H:20]):[C:13]([H:21]):[C:14]([H:22]):[O:15]:1)[H:23])[H:24])[H:25])([C:16](=[O:17])[O:18][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34]>>[H]O[C:7](=[O:8])[C:9](=[C:10]([C:11]1:[C:12]([H:20]):[C:13]([H:21]):[C:14]([H:22]):[O:15]:1)[H:23])[H:24].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([C:16](=[O:17])[O:18][H:26])[H:27])[H:25]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-N1254 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[#6:9])-[H:25])(-[#6:16])-[H:27]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:16])-[H:27])-[H:25]
EVODEX.1-Em647 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]=[#6:10]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]=[#6:10].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6263
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9](=[C:10]([C:11]1:[C:12]([H:20]):[C:13]([H:21]):[C:14]([H:22]):[O:15]:1)[H:23])[H:24])[H:25])([C:16](=[O:17])[O:18][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:7](=[O:8])([C:9](=[C:10]([C:11]1:[C:12]([H:20]):[C:13]([H:21]):[C:14]([H:22]):[O:15]:1)[H:23])[H:24])[O:19][H:35].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([C:16](=[O:17])[O:18][H:26])[H:27])[H:25]