SMIRKS
[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38]>>[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:29])([H:30])[H:31])[H:35])([H:33])[H:34])[C:7](=[O:8])[O:9][H:32].[H]OC(=O)C(C([H])(C([H])([H])[H])C([H])([H])[H])=[O:6]
Derived Operators
EVODEX.1-F146 - Elemental Balance
| O | 2 |
| C | 5 |
| N | 1 |
| H | 11 |
EVODEX.1-M116 - Mass Difference
117.07903
EVODEX.1-E805 - Reaction Operator E
[#6:14]-[#6:15](=[#8:16])-[#6:17]=[#8:18]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](=[#8])-[#8]-[H])=[#8:16])-[H])(-[H])(-[H])-[H].[#7](-[#6:15](-[#6:14])(-[#6:17]=[#8:18])-[H])(-[H])-[H]
EVODEX.1-C445 - Reaction Operator C
[#6:14]=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@@:14]-[H]
EVODEX.1-N542 - Reaction Operator N
[#6:13]-[#6:14](=[#8:15])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:15].[H]-[#7](-[H])-[#6@@:14](-[H])(-[#6:13])-[#6:16]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
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-R3693
[H][C@@:13]([C:11]([C:10]([H:26])([H:27])[H:28])([C:12]([H:18])([H:19])[H:20])[H:25])([N:14]([H:21])[H:22])[C:15](=[O:16])[O:17][H:23].[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38]>>[H][C@:5]([C:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:29])([H:30])[H:31])[H:35])([H:33])[H:34])([C:7](=[O:8])[O:9][H:32])[N:14]([H:21])[H:22].[O:6]=[C:13]([C:11]([C:10]([H:26])([H:27])[H:28])([C:12]([H:18])([H:19])[H:20])[H:25])[C:15](=[O:16])[O:17][H:23]