SMIRKS
[H]OC(=O)C(=O)[C:4]([C:3]([S:2][C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17].[H][C:11]([N:10]([H:26])[H:27])([C:12](=[O:13])[O:14][H:23])[H:24]>>[C:1]([S:2][C:3]([C:4]([C@:11]([N:10]([H:26])[H:27])([C:12](=[O:13])[O:14][H:23])[H:24])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22]
Derived Operators
EVODEX.1-F97 - Elemental Balance
| C | -2 |
| O | -3 |
| H | -2 |
EVODEX.1-M109 - Mass Difference
-74.00036
EVODEX.1-E683 - Reaction Operator E
[#7:1]-[#6:2](-[#6:3])(-[H:20])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-C463 - Reaction Operator C
[H]-[#6:2].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11]>>[#6:11]-[#6@:2]
EVODEX.1-N563 - Reaction Operator N
[H]-[#6:2](-[#7:1])(-[#6:3])-[H:20].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-Em554 - Reaction Operator Em
[H]-[#6:2](-[#7:1])-[#6:3].[#6](=[#8])-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
EVODEX.1-Nm500 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])-[#6:3].[#6]-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
Source Full Reactions
EVODEX.1-R3797
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:15])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C:11]([N:10]([H:26])[H:27])([C:12](=[O:13])[O:14][H:23])[H:24]>>[C:1]([S:2][C:3]([C:4]([C@:11]([N:10]([H:26])[H:27])([C:12](=[O:13])[O:14][H:23])[H:24])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C:5](=[O:6])[C:7](=[O:8])[O:9][H:15]