SMIRKS
[C:1](=[C:2]([C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:16])[H:17])([C:9](=[O:10])[O:11][H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])[H:28]>>[H][S:4][C:3]([C:2](=[C:1]([H:27])[H:28])[H:26])([H:24])[H:25].[H]C([H])([H])C(=O)O[C:5]([C:6]([C@:7]([N:8]([H:16])[H:17])([C:9](=[O:10])[O:11][H:18])[H:19])([H:20])[H:21])([H:22])[H:23]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E955 - Reaction Operator E
[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[#6](-[#6](=[#8])-[#8]-[#6:9](-[#6:10])(-[H:26])-[H:27])(-[H])(-[H])-[H].[#6:6]-[#16:8]-[H]
EVODEX.1-C873 - Reaction Operator C
[#16:8]-[#6:9]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:9].[H]-[#16:8]
EVODEX.1-N1099 - Reaction Operator N
[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:9](-[#6:10])(-[H:26])-[H:27].[H]-[#16:8]-[#6:6]
EVODEX.1-Em518 - Reaction Operator Em
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
EVODEX.1-Nm469 - Reaction Operator Nm
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
Source Full Reactions
EVODEX.1-R3376
[C:1](=[C:2]([C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:16])[H:17])([C:9](=[O:10])[O:11][H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26])([H:27])[H:28].[H][O:15][C:13]([C:12]([H:30])([H:31])[H:32])=[O:14]>>[H][S:4][C:3]([C:2](=[C:1]([H:27])[H:28])[H:26])([H:24])[H:25].[C:5]([C:6]([C@:7]([N:8]([H:16])[H:17])([C:9](=[O:10])[O:11][H:18])[H:19])([H:20])[H:21])([O:15][C:13]([C:12]([H:30])([H:31])[H:32])=[O:14])([H:22])[H:23]