SMIRKS
[C:1]([S:2](=[O:3])(=[O:4])[C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9](=[O:10])[H:20]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])([H:24])[H:25]>>[H]OC(=O)[C@]([H])(N([H])[H])[C:9]([C:8]1:[C:7]([H:19]):[C:6]([H:18]):[C:5]([S:2]([C:1]([H:23])([H:24])[H:25])(=[O:3])=[O:4]):[C:12]([H:22]):[C:11]:1[H:21])([O:10][H])[H:20]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1011 - Reaction Operator E
[#8:6]=[#6:7](-[#6:8])-[H:26]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:26])-[H])(-[H])-[H]
EVODEX.1-C927 - Reaction Operator C
[#8:6]=[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7]-[#8:6]-[H]
EVODEX.1-N1159 - Reaction Operator N
[#8:6]=[#6:7](-[#6:8])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:23]
EVODEX.1-Em744 - Reaction Operator Em
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
EVODEX.1-Nm673 - Reaction Operator Nm
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
Source Full Reactions
EVODEX.1-R6889
[C:1]([S:2](=[O:3])(=[O:4])[C:5]1:[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9](=[O:10])[H:20]):[C:11]([H:21]):[C:12]:1[H:22])([H:23])([H:24])[H:25].[H][C:14]([N:13]([H:29])[H:30])([C:15](=[O:16])[O:17][H:26])[H:27]>>[H][O:10][C:9]([C:8]1:[C:7]([H:19]):[C:6]([H:18]):[C:5]([S:2]([C:1]([H:23])([H:24])[H:25])(=[O:3])=[O:4]):[C:12]([H:22]):[C:11]:1[H:21])([C@@:14]([N:13]([H:29])[H:30])([C:15](=[O:16])[O:17][H:26])[H:27])[H:20]