SMIRKS
[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:8](=[O:9])[C:10]([C:11]([C:12]3:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:3[H:39])([H:40])[H:41])([H:42])[H:43])C2([H])SC1(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:8](=[O:9])[C:10]([C:11]([C:12]1:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:1[H:39])([H:40])[H:41])([H:42])[H:43]
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-R6213
[C:1]([C:2]1([C:3]([H:28])([H:29])[H:30])[S:4][C:5]2([H:31])[C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([C:12]3:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:3[H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])[C:20](=[O:21])[N:22]2[C:23]1([C:24](=[O:25])[O:26][H:46])[H:47])([H:48])([H:49])[H:50].[H][O:27][H:51]>>[C:8](=[O:9])([C:10]([C:11]([C:12]1:[C:13]([H:32]):[C:14]([H:33]):[C:15]([C:16]([N:17]([H:34])[H:35])([H:36])[H:37]):[C:18]([H:38]):[C:19]:1[H:39])([H:40])[H:41])([H:42])[H:43])[O:27][H:51].[H][N:7]([C:6]1([H:45])[C:5]2([H:31])[S:4][C:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:28])([H:29])[H:30])[C:23]([C:24](=[O:25])[O:26][H:46])([H:47])[N:22]2[C:20]1=[O:21])[H:44]