SMIRKS
[C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([C@:11]([N:12]([H:20])[H:21])([C:13](=[O:14])[O:15][H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30]>>[H]C([H])([H])C(=O)O[C:9]([C:10]([C@:11]([N:12]([H:20])[H:21])([C:13](=[O:14])[O:15][H:22])[H:23])([H:24])[H:25])([H:26])[H:27].[H][S:8][C:6]([C:5]([H:28])([H:29])[H:30])=[O:7]
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-R3386
[H][O:4][C:2]([C:1]([H:17])([H:18])[H:19])=[O:3].[C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([C@:11]([N:12]([H:20])[H:21])([C:13](=[O:14])[O:15][H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30]>>[C:1]([C:2](=[O:3])[O:4][C:9]([C:10]([C@:11]([N:12]([H:20])[H:21])([C:13](=[O:14])[O:15][H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:17])([H:18])[H:19].[H][S:8][C:6]([C:5]([H:28])([H:29])[H:30])=[O:7]