SMIRKS
[H][S:4][C:3]([C:2]([N:1]([H:17])[H:18])([H:15])[H:16])([H:13])[H:14]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:4][C:3]([C:2]([N:1]([H:17])[H:18])([H:15])[H:16])([H:13])[H:14]
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-R7014
[H][S:4][C:3]([C:2]([N:1]([H:17])[H:18])([H:15])[H:16])([H:13])[H:14].[N:5]([C@@:6]([C:7]([O:8][H:19])([H:20])[H:21])([C:9](=[O:10])[O:11][H:22])[H:23])([H:24])[H:25]>>[N:1]([C:2]([C:3]([S:4][C:7]([C@:6]([N:5]([H:24])[H:25])([C:9](=[O:10])[O:11][H:22])[H:23])([H:20])[H:21])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18].[H][O:8][H:19]