SMIRKS
[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:23])[H:24])([H:25])([H:26])[H:27]>>[H]N([H])[C@@:4]([H])([C:2]([C:1]([H:25])([H:26])[H:27])([C:3]([H:20])([H:21])[H:22])[H:24])[C:6](=[O:7])[O:8][H:23].[H]OC(=O)C(C([H])([H])C1:C([H]):N:C([H]):N:1[H])=[O:5]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E917 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:17].[#7](-[#6@@:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C430 - Reaction Operator C
[#6:16]=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H])=[#8:17].[H]-[#7](-[H])-[#6@@:16]-[H]
EVODEX.1-N520 - Reaction Operator N
[#6:15]-[#6:16](=[#8:17])-[#6:18]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H])=[#8:17].[H]-[#7](-[H])-[#6@@:16](-[H])(-[#6:15])-[#6:18]
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-R3673
[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:23])[H:24])([H:25])([H:26])[H:27].[H][C@:10]([N:9]([H:35])[H:36])([C:11]([C:12]1:[C:13]([H:28]):[N:14]:[C:15]([H:29]):[N:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]>>[H][C@:4]([C:2]([C:1]([H:25])([H:26])[H:27])([C:3]([H:20])([H:21])[H:22])[H:24])([C:6](=[O:7])[O:8][H:23])[N:9]([H:35])[H:36].[O:5]=[C:10]([C:11]([C:12]1:[C:13]([H:28]):[N:14]:[C:15]([H:29]):[N:16]:1[H:30])([H:31])[H:32])[C:17](=[O:18])[O:19][H:33]