SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:10]([C@:5]([C:4]([C:3]([S:2][C:1]([H:34])([H:35])[H:36])([H:32])[H:33])([H:30])[H:31])([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])[H:29])=[O:11])C([H])([H])[H]>>[H]O[C:10]([C@:5]([C:4]([C:3]([S:2][C:1]([H:34])([H:35])[H:36])([H:32])[H:33])([H:30])[H:31])([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])[H:29])=[O:11]
Derived Operators
EVODEX.1-F138 - Elemental Balance
| O | -1 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M45 - Mass Difference
-71.03715000000001
EVODEX.1-E792 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C613 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10]
EVODEX.1-N768 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:10](-[#6@:5])=[#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-R5735
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])([C:10](=[O:11])[N:12]([C@@:13]([C:14]([H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36].[H][O:18][H:37]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7]([C:8]([H:19])([H:20])[H:21])=[O:9])[H:22])([C:10](=[O:11])[O:18][H:37])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])([H:35])[H:36].[H][N:12]([C@@:13]([C:14]([H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]