SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:5]([C@@:2]([N:1]([H:21])[H:22])([C:3]([S:4][H:13])([H:14])[H:15])[H:20])=[O:6].[H][O:12][H:23]>>[N:1]([C@@:2]([C:3]([S:4][H:13])([H:14])[H:15])([C:5](=[O:6])[O:12][H:23])[H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F261 - Elemental Balance
| O | -2 |
| C | -2 |
| N | -1 |
| H | -5 |
EVODEX.1-M90 - Mass Difference
-75.03205000000001
EVODEX.1-E990 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:1](-[H:26])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:26]
EVODEX.1-C544 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29].[H]-[#8:36]>>[#6:29]-[#8:36]
EVODEX.1-N695 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29](-[#6:2])=[#8:30].[H]-[#8:36]-[H:86]>>[#6:2]-[#6:29](=[#8:30])-[#8:36]-[H:86]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5403
[N:1]([C@@:2]([C:3]([S:4][H:13])([H:14])[H:15])([C:5](=[O:6])[N:7]([C:8]([C:9](=[O:10])[O:11][H:16])([H:17])[H:18])[H:19])[H:20])([H:21])[H:22].[H][O:12][H:23]>>[N:1]([C@@:2]([C:3]([S:4][H:13])([H:14])[H:15])([C:5](=[O:6])[O:12][H:23])[H:20])([H:21])[H:22].[H][N:7]([C:8]([C:9](=[O:10])[O:11][H:16])([H:17])[H:18])[H:19]