SMIRKS
[H][S:13][C:12]([C:10]([C:9]([O:8][H:27])([H:25])[H:26])([O:11][H:20])[H:24])([H:22])[H:23]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:13][C:12]([C:10]([C:9]([O:8][H:27])([H:25])[H:26])([O:11][H:20])[H:24])([H:22])[H:23]
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-R7129
[N:1]([C@@:2]([C:3]([Cl:4])([H:14])[H:15])([C:5](=[O:6])[O:7][H:16])[H:17])([H:18])[H:19].[H][S:13][C:12]([C:10]([C:9]([O:8][H:27])([H:25])[H:26])([O:11][H:20])[H:24])([H:22])[H:23]>>[H][Cl:4].[N:1]([C@@:2]([C:3]([S:13][C:12]([C:10]([C:9]([O:8][H:27])([H:25])[H:26])([O:11][H:20])[H:24])([H:22])[H:23])([H:14])[H:15])([C:5](=[O:6])[O:7][H:16])[H:17])([H:18])[H:19]