SMIRKS
[H]N([H])[C:14]([H])([C:12]([S:11][C:10]([H:27])([H:28])[H:29])([C:13]([H:19])([H:20])[H:21])[H:26])[C:16](=[O:17])[O:18][H:24].[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:6]>>[O:6]=[C:14]([C:12]([S:11][C:10]([H:27])([H:28])[H:29])([C:13]([H:19])([H:20])[H:21])[H:26])[C:16](=[O:17])[O:18][H:24]
Derived Operators
EVODEX.1-F265 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -1 |
| H | -13 |
EVODEX.1-M88 - Mass Difference
-131.09469
EVODEX.1-E1005 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#6:19]-[#6@:20](-[#7](-[H])-[H])(-[#6:22]=[#8:23])-[H]>>[#8:6]=[#6:20](-[#6:19])-[#6:22]=[#8:23]
EVODEX.1-C458 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:20]-[H]>>[#8:6]=[#6:20]
EVODEX.1-N556 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:20](-[H])(-[#6:19])-[#6:22]>>[#8:6]=[#6:20](-[#6:19])-[#6:22]
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-R3715
[H][C:14]([C:12]([S:11][C:10]([H:27])([H:28])[H:29])([C:13]([H:19])([H:20])[H:21])[H:26])([N:15]([H:22])[H:23])[C:16](=[O:17])[O:18][H:24].[C:1]([C:2]([C:3]([C:4]([H:30])([H:31])[H:32])([C:5](=[O:6])[C:7](=[O:8])[O:9][H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39]>>[H][C@:5]([C@:3]([C:2]([C:1]([H:37])([H:38])[H:39])([H:35])[H:36])([C:4]([H:30])([H:31])[H:32])[H:34])([C:7](=[O:8])[O:9][H:33])[N:15]([H:22])[H:23].[O:6]=[C:14]([C:12]([S:11][C:10]([H:27])([H:28])[H:29])([C:13]([H:19])([H:20])[H:21])[H:26])[C:16](=[O:17])[O:18][H:24]