SMIRKS
[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:7]
Derived Operators
EVODEX.1-F331 - Elemental Balance
| O | -2 |
| C | -8 |
| S | -1 |
| N | -2 |
| H | -10 |
EVODEX.1-M340 - Mass Difference
-198.04640000000003
EVODEX.1-E1118 - Reaction Operator E
[#6](-[#6]1(-[#6](-[H])(-[H])-[H])-[#16]-[#6@]2(-[H])-[#6](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[H])-[#6](=[#8])-[#7]-2-[#6@]-1(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8]-[H]
EVODEX.1-C512 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6]1(-[H])-[#7]2-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8])-[#6]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N644 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6]1(-[H])-[#7]2-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:8](=[#8:9])-[#6:10])-[#6]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
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-R6195
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:22][H:45]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:22][H:45])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][N:8]([C@:9]1([H:23])[C:10](=[O:11])[N:12]2[C@:13]1([H:24])[S:14][C:15]([C:16]([H:25])([H:26])[H:27])([C:17]([H:28])([H:29])[H:30])[C@@:18]2([C:19](=[O:20])[O:21][H:31])[H:32])[H:33]