SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S:9][C:7]([C:6]([C:5]([H:35])([H:36])[H:37])([H:33])[H:34])([C:8]([H:21])([H:22])[H:23])[H:32]>>[H][S:9][C:7]([C:6]([C:5]([H:35])([H:36])[H:37])([H:33])[H:34])([C:8]([H:21])([H:22])[H:23])[H:32]
Derived Operators
EVODEX.1-F310 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M85 - Mass Difference
-101.04771
EVODEX.1-E1082 - Reaction Operator E
[#7](-[#6@@](-[#6](-[#6](-[#16:9]-[#6:10])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#16:9](-[#6:10])-[H]
EVODEX.1-C405 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:9]>>[H]-[#16:9]
EVODEX.1-N486 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16:9]-[#6:10]>>[H]-[#16:9]-[#6:10]
Source Full Reactions
EVODEX.1-R3374
[H][O:4][C:2]([C:1]([H:18])([H:19])[H:20])=[O:3].[C:5]([C:6]([C:7]([C:8]([H:21])([H:22])[H:23])([S:9][C:10]([C:11]([C@:12]([N:13]([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]>>[C:1]([C:2](=[O:3])[O:4][C:10]([C:11]([C@:12]([N:13]([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:18])([H:19])[H:20].[H][S:9][C:7]([C:6]([C:5]([H:35])([H:36])[H:37])([H:33])[H:34])([C:8]([H:21])([H:22])[H:23])[H:32]