SMIRKS
[H]OC(=O)C(C([H])([H])C([H])([H])SC([H])([H])[H])=[O:15].[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35])[C:7](=[O:8])[O:9][H:32]>>[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C:5]([C:7](=[O:8])[O:9][H:32])=[O:15])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F379 - Elemental Balance
| O | -2 |
| C | -5 |
| S | -1 |
| N | -1 |
| H | -11 |
EVODEX.1-M154 - Mass Difference
-149.05113
EVODEX.1-E1173 - Reaction Operator E
[#6](-[#16]-[#6](-[#6](-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@@:11](-[#6:12])(-[#6:21]=[#8:22])-[H])(-[H])-[H]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-C428 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11]-[H]>>[#8:6]=[#6:11]
EVODEX.1-N518 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:11](-[H])(-[#6:12])-[#6:21]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]
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-R3694
[C:10]([S:11][C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:19])([H:20])[H:21])([H:22])[H:23])([H:24])([H:25])[H:26].[H][C@@:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:27])([H:28])[H:29])[H:36])([H:34])[H:35])([N:6]([H:30])[H:31])[C:7](=[O:8])[O:9][H:32]>>[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C:5]([C:7](=[O:8])[O:9][H:32])=[O:15])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][C@:14]([N:6]([H:30])[H:31])([C:13]([C:12]([S:11][C:10]([H:24])([H:25])[H:26])([H:22])[H:23])([H:20])[H:21])[C:16](=[O:17])[O:18][H:19]