SMIRKS
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([N:7]([H:20])[H:21])[H:29])=[O:9].[H][O:19][H:40]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:20])[H:21])([C:8](=[O:9])[O:19][H:40])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F436 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -2 |
| H | -8 |
EVODEX.1-M79 - Mass Difference
-132.05354
EVODEX.1-E1243 - Reaction Operator E
[#6:3]-[#6:4](=[#8:5])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H].[#8:18](-[H:32])-[H]>>[#6:3]-[#6:4](=[#8:5])-[#8:18]-[H:32]
EVODEX.1-C562 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15].[H]-[#8:30]>>[#6:15]-[#8:30]
EVODEX.1-N715 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:15](-[#6:14])=[#8:16].[H]-[#8:30]-[H:53]>>[#6:14]-[#6:15](=[#8:16])-[#8:30]-[H:53]
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-R5456
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:20])[H:21])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[N:14]([C:15]([C:16](=[O:17])[O:18][H:22])([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][O:19][H:40]>>[H][N:10]([C:11]([C:12](=[O:13])[N:14]([C:15]([C:16](=[O:17])[O:18][H:22])([H:23])[H:24])[H:25])([H:26])[H:27])[H:28].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:20])[H:21])([C:8](=[O:9])[O:19][H:40])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39]