SMIRKS
[C:1]([C:2]([S:3][C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25]>>[H]OC(=O)[C@@]([H])(N([H])[H])[C:5]([C:4]([S:3][C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18].[H][C:6](=[O:7])[C:8](=[O:9])[O:10][H:16]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1014 - Reaction Operator E
[#8:6]=[#6:7]-[#6:9](=[#8:10])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H])(-[H])-[H].[#8:6]=[#6:7]-[#6:9](=[#8:10])-[H]
EVODEX.1-C459 - Reaction Operator C
[#6:6]-[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6].[H]-[#6:7]
EVODEX.1-N557 - Reaction Operator N
[#6:5]-[#6:6](-[#6:7](=[#8:8])-[#6:9])(-[H:18])-[H:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6](-[#6:5])(-[H:18])-[H:19].[H]-[#6:7](=[#8:8])-[#6:9]
EVODEX.1-Em548 - Reaction Operator Em
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]=[#8:10]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]=[#8:10]
EVODEX.1-Nm495 - Reaction Operator Nm
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]
Source Full Reactions
EVODEX.1-R3813
[C:1]([C:2]([S:3][C:4]([C:5]([C:6](=[O:7])[C:8](=[O:9])[O:10][H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:12]([N:11]([H:29])[H:30])([C:13](=[O:14])[O:15][H:26])[H:27]>>[C:1]([C:2]([S:3][C:4]([C:5]([C@:12]([N:11]([H:29])[H:30])([C:13](=[O:14])[O:15][H:26])[H:27])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C:6](=[O:7])[C:8](=[O:9])[O:10][H:16]