SMIRKS
[H]N([H])[C:2]([H])([C:3]([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:17]>>[C:2]([C:3]([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])(=[O:17])[H:31]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1033 - Reaction Operator E
[#6:20](-[#6@@:19])(-[#7](-[H])-[H])(-[H:63])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8:49])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#6:20](-[#6@@:19])(=[#8:49])-[H:63]
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N523 - Reaction Operator N
[H]-[#7](-[H])-[#6:13](-[H])(-[#6:12])-[H:34].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:12]-[#6:13](=[#8:23])-[H:34]
EVODEX.1-Em111 - Reaction Operator Em
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6](=[#8])-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
EVODEX.1-Nm142 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6]-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
Source Full Reactions
EVODEX.1-R3547
[H][C:2]([N:1]([H:33])[H:34])([C:3]([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31].[O:11]=[C:12]([O:13][H:35])[C:14]([C:15]([C:16](=[O:17])[C:18](=[O:19])[O:20][H:36])([H:37])[H:38])([H:39])[H:40]>>[C:2]([C:3]([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])(=[O:17])[H:31].[H][C:16]([N:1]([H:33])[H:34])([C:15]([C:14]([C:12](=[O:11])[O:13][H:35])([H:39])[H:40])([H:37])[H:38])[C:18](=[O:19])[O:20][H:36]