SMIRKS
[O:13]=[C:14]([O:15][H:40])[C:16](=[O:17])[C:18]([C:19]1:[C:20]([H:41]):[N:21]([H:42]):[C:22]2:[C:23]([H:43]):[C:24]([H:44]):[C:25]([O:26][H:45]):[C:27]([H:46]):[C:28]:1:2)([H:47])[H:48]>>[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:17].[H]N([H])[C:16]([H])([C:14](=[O:13])[O:15][H:40])[C:18]([C:19]1:[C:20]([H:41]):[N:21]([H:42]):[C:22]2:[C:23]([H:43]):[C:24]([H:44]):[C:25]([O:26][H:45]):[C:27]([H:46]):[C:28]:1:2)([H:47])[H:48]
Derived Operators
EVODEX.1-F194 - Elemental Balance
| O | 2 |
| C | 9 |
| N | 1 |
| H | 11 |
EVODEX.1-M126 - Mass Difference
165.07903
EVODEX.1-E893 - Reaction Operator E
[#6:2]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:2]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C454 - Reaction Operator C
[#6:5]=[#8:6]>>[H]-[#7](-[H])-[#6:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:6]
EVODEX.1-N551 - Reaction Operator N
[#6:2]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:2])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:6]
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-R3638
[H][C@:2]([N:1]([H:38])[H:39])([C:3]([C:4]1:[C:5]([H:29]):[C:6]([H:30]):[C:7]([H:31]):[C:8]([H:32]):[C:9]:1[H:33])([H:34])[H:35])[C:10](=[O:11])[O:12][H:36].[O:13]=[C:14]([O:15][H:40])[C:16](=[O:17])[C:18]([C:19]1:[C:20]([H:41]):[N:21]([H:42]):[C:22]2:[C:23]([H:43]):[C:24]([H:44]):[C:25]([O:26][H:45]):[C:27]([H:46]):[C:28]:1:2)([H:47])[H:48]>>[C:2]([C:3]([C:4]1:[C:5]([H:29]):[C:6]([H:30]):[C:7]([H:31]):[C:8]([H:32]):[C:9]:1[H:33])([H:34])[H:35])([C:10](=[O:11])[O:12][H:36])=[O:17].[H][C:16]([N:1]([H:38])[H:39])([C:14](=[O:13])[O:15][H:40])[C:18]([C:19]1:[C:20]([H:41]):[N:21]([H:42]):[C:22]2:[C:23]([H:43]):[C:24]([H:44]):[C:25]([O:26][H:45]):[C:27]([H:46]):[C:28]:1:2)([H:47])[H:48]