SMIRKS
[H][S:12][C:11]([H:14])([H:15])[H:16]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:12][C:11]([H:14])([H:15])[H:16]
Derived Operators
EVODEX.1-F270 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M141 - Mass Difference
87.03205000000001
EVODEX.1-E1017 - Reaction Operator E
[#6:12]-[#16:13]-[H]>>[#7](-[#6@@](-[#6](-[#16:13]-[#6:12])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C403 - Reaction Operator C
[H]-[#16:13]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:13]
EVODEX.1-N484 - Reaction Operator N
[H]-[#16:13]-[#6:12]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#16:13]-[#6:12]
Source Full Reactions
EVODEX.1-R7127
[H][S:2][C:1]([H:11])([H:12])[H:13].[N:3]([C@@:4]([C:5]([Cl:6])([H:14])[H:15])([C:7](=[O:8])[O:9][H:16])[H:17])([H:18])[H:19]>>[C:1]([S:2][C:5]([C@:4]([N:3]([H:18])[H:19])([C:7](=[O:8])[O:9][H:16])[H:17])([H:14])[H:15])([H:11])([H:12])[H:13].[H][Cl:6]
EVODEX.1-R3353
[H][S:12][C:11]([H:14])([H:15])[H:16].[C:1]([C:2](=[O:3])[O:4][C:5]([C@:6]([N:7]([H:17])[H:18])([C:8](=[O:9])[O:10][H:19])[H:20])([H:21])[H:22])([H:23])([H:24])[H:25]>>[C:5]([C@:6]([N:7]([H:17])[H:18])([C:8](=[O:9])[O:10][H:19])[H:20])([S:12][C:11]([H:14])([H:15])[H:16])([H:21])[H:22].[H][O:4][C:2]([C:1]([H:23])([H:24])[H:25])=[O:3]