SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:5]([C@@:2]([N:1]([H:29])[H:30])([C:3]([S:4][H:18])([H:19])[H:20])[H:28])=[O:6]>>[H]O[C:5]([C@@:2]([N:1]([H:29])[H:30])([C:3]([S:4][H:18])([H:19])[H:20])[H:28])=[O:6]
Derived Operators
EVODEX.1-F177 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M121 - Mass Difference
-114.04298
EVODEX.1-E861 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H]>>[#6:3]-[#6:4](=[#8:5])-[#8]-[H]
EVODEX.1-C564 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:11]>>[H]-[#8]-[#6:11]
EVODEX.1-N717 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:11](=[#8:12])-[#6:13]>>[H]-[#8]-[#6:11](=[#8:12])-[#6:13]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5493
[N:1]([C@@:2]([C:3]([S:4][H:18])([H:19])[H:20])([C:5](=[O:6])[N:7]([C:8]([C:9](=[O:10])[N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24])([H:25])[H:26])[H:27])[H:28])([H:29])[H:30].[H][O:16][H:31].[H][O:17][H:33]>>[H][N:11]([C:12]([C:13](=[O:14])[O:15][H:21])([H:22])[H:23])[H:24].[N:1]([C@@:2]([C:3]([S:4][H:18])([H:19])[H:20])([C:5](=[O:6])[O:16][H:31])[H:28])([H:29])[H:30].[H][N:7]([C:8]([C:9](=[O:10])[O:17][H:33])([H:25])[H:26])[H:27]
EVODEX.1-R5494
[N:1]([C@@:2]([C:3]([S:4][H:17])([H:18])[H:19])([C:5](=[O:6])[N:7]([C:8]([C:9](=[O:10])[N:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])[H:23])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29].[H][O:16][H:30]>>[N:1]([C@@:2]([C:3]([S:4][H:17])([H:18])[H:19])([C:5](=[O:6])[O:16][H:30])[H:27])([H:28])[H:29].[H][N:7]([C:8]([C:9](=[O:10])[N:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])[H:23])([H:24])[H:25])[H:26]