SMIRKS
[H][C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28]>>O=[C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])[C:7](=[O:8])[O:9][H:28].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])[N:6]([H:26])[H:27]
Derived Operators
EVODEX.1-F107 - Elemental Balance
| O | 3 |
| C | 9 |
| H | 8 |
EVODEX.1-M237 - Mass Difference
164.04734
EVODEX.1-E692 - Reaction Operator E
[#6:2]-[#6:6](-[#7:7](-[H:24])-[H:25])(-[#6:8]=[#8:9])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8].[#7:7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H:24])-[H:25]
EVODEX.1-C427 - Reaction Operator C
[H]-[#6:5]-[#7:6]>>[#8]=[#6:5].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6]
EVODEX.1-N509 - Reaction Operator N
[H]-[#6:5](-[#6:2])(-[#7:6](-[H:26])-[H:27])-[#6:7]>>[#8]=[#6:5](-[#6:2])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7:6](-[H:26])-[H:27]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3820
[H][C:5]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:22])([H:23])[H:24])[S:4][H:25])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28].[O:10]=[C:11]([O:12][H:33])[C:13](=[O:14])[C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40]>>[C:1]([C:2]([C:3]([H:22])([H:23])[H:24])([S:4][H:25])[C:5]([C:7](=[O:8])[O:9][H:28])=[O:14])([H:30])([H:31])[H:32].[H][C@@:13]([N:6]([H:26])[H:27])([C:11](=[O:10])[O:12][H:33])[C:15]([C:16]1:[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]([H:37]):[C:21]:1[H:38])([H:39])[H:40]