SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])C([H])([H])C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([C:21](=[O:22])[O:23][H:36])[H:37])[H:35]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([C:21](=[O:22])[O:23][H:36])[H:37])[H:35]
Derived Operators
EVODEX.1-F258 - Elemental Balance
| C | -10 |
| N | -1 |
| O | -3 |
| H | -9 |
EVODEX.1-M308 - Mass Difference
-191.05827
EVODEX.1-E986 - Reaction Operator E
[#8]=[#6](-[#6](-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H])-[H])-[#7:16](-[#6@@:17])-[H:85]>>[#7:16](-[#6@@:17])(-[H:85])-[H]
EVODEX.1-C606 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:13]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]
EVODEX.1-N763 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:13](-[#6@:4])-[H:46]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@:4])-[H:46]
Source Full Reactions
EVODEX.1-R5670
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]([H:28]):[C:20]:1[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])[H:35])([C:21](=[O:22])[O:23][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:24][H:45]>>[C:7](=[O:8])([C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]([H:28]):[C:20]:1[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])[O:24][H:45].[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([C:21](=[O:22])[O:23][H:36])[H:37])[H:35]