SMIRKS
[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]
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-R7128
[N:1]([C@@:2]([C:3]([Cl:4])([H:15])[H:16])([C:5](=[O:6])[O:7][H:17])[H:18])([H:19])[H:20].[H][S:8][C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25]>>[H][Cl:4].[N:1]([C@@:2]([C:3]([S:8][C:9]1:[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]:1[H:25])([H:15])[H:16])([C:5](=[O:6])[O:7][H:17])[H:18])([H:19])[H:20]
EVODEX.1-R7013
[N:1]([C@@:2]([C:3]([O:4][H:15])([H:16])[H:17])([C:5](=[O:6])[O:7][H:18])[H:19])([H:20])[H:21].[H][S:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26]>>[N:1]([C@@:2]([C:3]([S:8][C:9]1:[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]:1[H:26])([H:16])[H:17])([C:5](=[O:6])[O:7][H:18])[H:19])([H:20])[H:21].[H][O:4][H:15]
EVODEX.1-R3357
[C:1]([C:2](=[O:3])[O:4][C:5]([C@:6]([N:7]([H:18])[H:19])([C:8](=[O:9])[O:10][H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31]>>[C:5]([C@:6]([N:7]([H:18])[H:19])([C:8](=[O:9])[O:10][H:20])[H:21])([S:11][C:12]1:[C:13]([H:27]):[C:14]([H:28]):[C:15]([H:29]):[C:16]([H:30]):[C:17]:1[H:31])([H:22])[H:23].[H][O:4][C:2]([C:1]([H:24])([H:25])[H:26])=[O:3]