SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:46])([H:47])[H:48])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:9].[H][O:20][H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:20][H:49])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1007 - Reaction Operator E
[#7](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:19](-[H:44])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:44]
EVODEX.1-C923 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:8].[H]-[#8:22]>>[#6:8]-[#8:22]
EVODEX.1-N1152 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10].[H]-[#8:22]-[H:40]>>[#6:8](=[#8:9])(-[#6:10])-[#8:22]-[H:40]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6295
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[N:10]([C:11]([C:12]([C:13]([C:14]([C@:15]([N:16]([H:21])[H:22])([C:17](=[O:18])[O:19][H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:20][H:49]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:20][H:49])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][N:10]([C:11]([C:12]([C:13]([C:14]([C@:15]([N:16]([H:21])[H:22])([C:17](=[O:18])[O:19][H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])[H:33]