SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])[C:6]([C:5]([S:2]([C:1]([H:25])([H:26])[H:27])(=[O:3])=[O:4])([H:23])[H:24])([H:21])[H:22].[H][C:13](=[O:12])[C:14](=[O:15])[O:16][H:28]>>[C:1]([S:2](=[O:3])(=[O:4])[C:5]([C:6]([C:13](=[O:12])[C:14](=[O:15])[O:16][H:28])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F261 - Elemental Balance
| O | -2 |
| C | -2 |
| N | -1 |
| H | -5 |
EVODEX.1-M90 - Mass Difference
-75.03205000000001
EVODEX.1-E991 - Reaction Operator E
[#6:5]-[#6:6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:21])-[H:22].[#8:12]=[#6:13](-[#6:14]=[#8:15])-[H]>>[#6:5]-[#6:6](-[#6:13](=[#8:12])-[#6:14]=[#8:15])(-[H:21])-[H:22]
EVODEX.1-C438 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:10].[H]-[#6:17]>>[#6:10]-[#6:17]
EVODEX.1-N530 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:10](-[#6:8])(-[H:29])-[H:30].[H]-[#6:17](=[#8:16])-[#6:18]>>[#6:8]-[#6:10](-[#6:17](=[#8:16])-[#6:18])(-[H:29])-[H:30]
EVODEX.1-Em540 - Reaction Operator Em
[#6]-[#6](-[H])(-[#7])-[#6:10]-[#6:8].[H]-[#6:17](=[#8:16])-[#6:18]=[#8:19]>>[#6:8]-[#6:10]-[#6:17](=[#8:16])-[#6:18]=[#8:19]
EVODEX.1-Nm489 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#7])-[#6:10]-[#6:8].[H]-[#6:17](=[#8:16])-[#6:18]>>[#6:8]-[#6:10]-[#6:17](=[#8:16])-[#6:18]
Source Full Reactions
EVODEX.1-R3564
[C:1]([S:2](=[O:3])(=[O:4])[C:5]([C:6]([C@:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][C:13](=[O:12])[C:14](=[O:15])[O:16][H:28]>>[H][C:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20].[C:1]([S:2](=[O:3])(=[O:4])[C:5]([C:6]([C:13](=[O:12])[C:14](=[O:15])[O:16][H:28])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]