SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:5]([C@@:2]([N:1]([H:35])[H:36])([C:3]([O:4][H:21])([H:22])[H:23])[H:34])=[O:6])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H].[H][O:20][H:37]>>[N:1]([C@@:2]([C:3]([O:4][H:21])([H:22])[H:23])([C:5](=[O:6])[O:20][H:37])[H:34])([H:35])[H:36]
Derived Operators
EVODEX.1-F199 - Elemental Balance
| O | -3 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M277 - Mass Difference
-181.07393
EVODEX.1-E900 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:17].[#8:1](-[H:38])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:17])-[H:38]
EVODEX.1-C916 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:11])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:26]>>[#6:11]-[#8:26]
EVODEX.1-N1146 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:11](-[#6@:5])=[#8:12])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:26]-[H:52]>>[#6:11](-[#6@:5])(=[#8:12])-[#8:26]-[H:52]
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-R5604
[N:1]([C@@:2]([C:3]([O:4][H:21])([H:22])[H:23])([C:5](=[O:6])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([O:14][H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33])[H:34])([H:35])[H:36].[H][O:20][H:37]>>[N:1]([C@@:2]([C:3]([O:4][H:21])([H:22])[H:23])([C:5](=[O:6])[O:20][H:37])[H:34])([H:35])[H:36].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:24]):[C:12]([H:25]):[C:13]([O:14][H:26]):[C:15]([H:27]):[C:16]:1[H:28])([H:29])[H:30])([C:17](=[O:18])[O:19][H:31])[H:32])[H:33]