SMIRKS
[C:10]([S:11][C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26]>>[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:15].[H]N([H])[C@@:14]([H])([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19]
Derived Operators
EVODEX.1-F137 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 1 |
| H | 13 |
EVODEX.1-M67 - Mass Difference
131.09469
EVODEX.1-E789 - Reaction Operator E
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](=[#8])-[#8]-[H])=[#8:14])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@:13](-[#6:11]=[#8:10])(-[#6:15])-[H])(-[H])-[H]
EVODEX.1-C455 - Reaction Operator C
[#6:13]=[#8:14]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13]-[H]
EVODEX.1-N552 - Reaction Operator N
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:14].[H]-[#7](-[H])-[#6@:13](-[H])(-[#6:11])-[#6:15]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3691
[C:10]([S:11][C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C@@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:27])([H:28])[H:29])[H:34])([N:6]([H:30])[H:31])[C:7](=[O:8])[O:9][H:32]>>[C:1]([C:2]([C:3]([C:4]([H:27])([H:28])[H:29])([C:5]([C:7](=[O:8])[O:9][H:32])=[O:15])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][C@:14]([N:6]([H:30])[H:31])([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19]