SMIRKS
O=[C:5]([C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])[H:13].[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:9]([H:23])[H:24]>>[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([N:9]([H:23])[H:24])[H:13]
Derived Operators
EVODEX.1-F51 - Elemental Balance
| C | -3 |
| O | -3 |
| H | -4 |
EVODEX.1-M54 - Mass Difference
-88.01602
EVODEX.1-E565 - Reaction Operator E
[#6](-[#6@](-[#7:3](-[H:23])-[H:24])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H].[#6:18]-[#6:19](=[#8])-[H:35]>>[#7:3](-[#6:19](-[#6:18])(-[H:35])-[H])(-[H:23])-[H:24]
EVODEX.1-C126 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3].[#8]=[#6:19]>>[H]-[#6:19]-[#7:3]
EVODEX.1-N517 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3](-[H:23])-[H:24].[#8]=[#6:19](-[#6:18])-[H:35]>>[H]-[#6:19](-[#7:3](-[H:23])-[H:24])(-[#6:18])-[H:35]
EVODEX.1-Em107 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
EVODEX.1-Nm139 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:3].[#8]=[#6:19]-[#6:18]>>[H]-[#6:19](-[#7:3])-[#6:18]
Source Full Reactions
EVODEX.1-R3535
[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C@@:8]([C:7]([H:27])([H:28])[H:29])([N:9]([H:23])[H:24])[C:10](=[O:11])[O:12][H:25]>>[H][C:5]([C:4]([C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([N:9]([H:23])[H:24])[H:13].[O:6]=[C:8]([C:7]([H:27])([H:28])[H:29])[C:10](=[O:11])[O:12][H:25]