SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:15])([H:16])[H:17])=[O:8])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C@@:6]([H])([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])[C:7]([H:15])([H:16])[H:17].[H]OC(=O)C(C([H])([H])[H])=[O:8]
Derived Operators
EVODEX.1-F147 - Elemental Balance
| O | 2 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M46 - Mass Difference
89.04771000000001
EVODEX.1-E809 - Reaction Operator E
[#6:3]-[#6:4](-[#6:5])=[#8:6]>>[#6:3]-[#6@@:4](-[#6:5])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[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-N539 - Reaction Operator N
[#6:7]-[#6:8](-[#6:9])=[#8:10]>>[H]-[#7](-[H])-[#6@@:8](-[H])(-[#6:7])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[H])=[#8:10]
EVODEX.1-Em149 - Reaction Operator Em
[#6:30]-[#6:32](=[#8:33])-[#6:34]>>[H]-[#7](-[H])-[#6:32](-[H])(-[#6:30])-[#6:34].[#6](=[#8])-[#6](-[#6])=[#8:33]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3608
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([H:15])([H:16])[H:17])=[O:8])([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@:10]([C:9]([H:33])([H:34])[H:35])([N:11]([H:29])[H:30])[C:12](=[O:13])[O:14][H:31]>>[H][C@:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])([C:7]([H:15])([H:16])[H:17])[N:11]([H:29])[H:30].[O:8]=[C:10]([C:9]([H:33])([H:34])[H:35])[C:12](=[O:13])[O:14][H:31]