SMIRKS
[H]N([H])[C@@:7]([H])([C:6]([C:5]([S:2]([C:1]([H:33])([H:34])[H:35])(=[N:3][H:24])=[O:4])([H:31])[H:32])([H:29])[H:30])[C:9](=[O:10])[O:11][H:27].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:16]>>[C:1]([S:2](=[N:3][H:24])(=[O:4])[C:5]([C:6]([C:7]([C:9](=[O:10])[O:11][H:27])=[O:16])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35]
Derived Operators
EVODEX.1-F195 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M176 - Mass Difference
-165.07903
EVODEX.1-E895 - Reaction Operator E
[#6:2]-[#6:6](-[#7](-[H])-[H])(-[#6:8]=[#8:9])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8:15])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8:15]
EVODEX.1-C874 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:7]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:7]=[#8:16]
EVODEX.1-N1101 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:7](-[H])(-[#6:6])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:16]>>[#6:6]-[#6:7](-[#6:9])=[#8:16]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3814
[H][C@@:7]([C:6]([C:5]([S:2]([C:1]([H:33])([H:34])[H:35])(=[N:3][H:24])=[O:4])([H:31])[H:32])([H:29])[H:30])([N:8]([H:25])[H:26])[C:9](=[O:10])[O:11][H:27].[O:12]=[C:13]([O:14][H:36])[C:15](=[O:16])[C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43]>>[C:1]([S:2](=[N:3][H:24])(=[O:4])[C:5]([C:6]([C:7]([C:9](=[O:10])[O:11][H:27])=[O:16])([H:29])[H:30])([H:31])[H:32])([H:33])([H:34])[H:35].[H][C@@:15]([N:8]([H:25])[H:26])([C:13](=[O:12])[O:14][H:36])[C:17]([C:18]1:[C:19]([H:37]):[C:20]([H:38]):[C:21]([H:39]):[C:22]([H:40]):[C:23]:1[H:41])([H:42])[H:43]