SMIRKS
[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]N([H])[C:5]([H])([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(C([H])([H])[H])=[O:6]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E807 - Reaction Operator E
[#6:18]-[#6:19](=[#8:20])-[H:35]>>[#6](-[#6](-[#6](=[#8])-[#8]-[H])=[#8:20])(-[H])(-[H])-[H].[#7](-[#6:19](-[#6:18])(-[H:35])-[H])(-[H])-[H]
EVODEX.1-C125 - Reaction Operator C
[#6:8]=[#8:10]>>[H]-[#7](-[H])-[#6@@:8]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:10]
EVODEX.1-N515 - Reaction Operator N
[#8:7]=[#6:8](-[#6:9])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:7].[H]-[#7](-[H])-[#6:8](-[H])(-[#6:9])-[H:23]
EVODEX.1-Em106 - Reaction Operator Em
[#8:11]=[#6:12]-[#6:13]>>[#6](=[#8])-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
EVODEX.1-Nm138 - Reaction Operator Nm
[#8:11]=[#6:12]-[#6:13]>>[#6]-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
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]