SMIRKS
[O:12]=[C:13]([O:14][H:36])[C:15](=[O:16])[C:17]([C:18]1:[C:19]([H:37]):[N:20]([H:38]):[C:21]2:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1:2)([H:43])[H:44]>>[H]OC(=O)C(C([H])([H])C1:C([H]):N:C([H]):N:1[H])=[O:16].[H]N([H])[C@:15]([H])([C:13](=[O:12])[O:14][H:36])[C:17]([C:18]1:[C:19]([H:37]):[N:20]([H:38]):[C:21]2:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1:2)([H:43])[H:44]
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-R3787
[H][C@:2]([N:1]([H:34])[H:35])([C:3]([C:4]1:[C:5]([H:27]):[N:6]:[C:7]([H:28]):[N:8]:1[H:29])([H:30])[H:31])[C:9](=[O:10])[O:11][H:32].[O:12]=[C:13]([O:14][H:36])[C:15](=[O:16])[C:17]([C:18]1:[C:19]([H:37]):[N:20]([H:38]):[C:21]2:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1:2)([H:43])[H:44]>>[C:2]([C:3]([C:4]1:[C:5]([H:27]):[N:6]:[C:7]([H:28]):[N:8]:1[H:29])([H:30])[H:31])([C:9](=[O:10])[O:11][H:32])=[O:16].[H][C@@:15]([N:1]([H:34])[H:35])([C:13](=[O:12])[O:14][H:36])[C:17]([C:18]1:[C:19]([H:37]):[N:20]([H:38]):[C:21]2:[C:22]([H:39]):[C:23]([H:40]):[C:24]([H:41]):[C:25]([H:42]):[C:26]:1:2)([H:43])[H:44]