SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:19])[H:20])([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])[H:30])C([H])([H])C([H])([H])SC([H])([H])[H]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:19])[H:20])([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])[H:30]
Derived Operators
EVODEX.1-F469 - Elemental Balance
| O | -1 |
| C | -5 |
| S | -1 |
| N | -1 |
| H | -9 |
EVODEX.1-M164 - Mass Difference
-131.04057
EVODEX.1-E1283 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@@](-[#6](-[#6](-[#16]-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-C548 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N700 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6:9])=[#8:11])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6:9])=[#8:11]
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-R5410
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:19])[H:20])([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])[H:30])[H:31])([C:15](=[O:16])[O:17][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:18][H:41]>>[C:7](=[O:8])([C@@:9]([N:10]([H:19])[H:20])([C:11]([C:12]([C:13]([H:21])([H:22])[H:23])([C:14]([H:24])([H:25])[H:26])[H:27])([H:28])[H:29])[H:30])[O:18][H:41].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([C:15](=[O:16])[O:17][H:32])[H:33])[H:31]