SMIRKS
[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([N:6]([H:19])[H:20])[C:7](=[O:8])[O:9][H:21]>>O=[C:5]([C:4]([C:3]([S:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])[C:7](=[O:8])[O:9][H:21].[H]OC(=O)[C@]([H])(C([H])([H])C(=O)N([H])[H])[N:6]([H:19])[H:20]
Derived Operators
EVODEX.1-F437 - Elemental Balance
| O | 4 |
| C | 4 |
| N | 1 |
| H | 5 |
EVODEX.1-M420 - Mass Difference
131.02185
EVODEX.1-E1246 - Reaction Operator E
[#7:10](-[#6@@:11](-[#6:12])(-[#6:17]=[#8:18])-[H])(-[H:27])-[H:28]>>[#7](-[#6](=[#8])-[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:10](-[H:27])-[H:28])-[H])(-[H])-[H])(-[H])-[H].[#8]=[#6:11](-[#6:12])-[#6:17]=[#8:18]
EVODEX.1-C434 - Reaction Operator C
[H]-[#6@:11]-[#7:10]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:10].[#8]=[#6:11]
EVODEX.1-N526 - Reaction Operator N
[H]-[#6@:11](-[#7:10](-[H:24])-[H:25])(-[#6:12])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:10](-[H:24])-[H:25].[#8]=[#6:11](-[#6:12])-[#6:16]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3554
[H][C@@:5]([C:4]([C:3]([S:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([H:23])[H:24])([N:6]([H:19])[H:20])[C:7](=[O:8])[O:9][H:21].[N:10]([C:11](=[O:12])[C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:30])([H:31])[H:32])([H:33])[H:34]>>[C:1]([S:2][C:3]([C:4]([C:5]([C:7](=[O:8])[O:9][H:21])=[O:15])([H:23])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][C@:14]([N:6]([H:19])[H:20])([C:13]([C:11]([N:10]([H:33])[H:34])=[O:12])([H:31])[H:32])[C:16](=[O:17])[O:18][H:30]