SMIRKS
[O:16]=[C:17]([O:18][H:40])[C:19](=[O:20])[C:21]([C:22]1:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1[H:45])([H:46])[H:47]>>[H]N([H])[C@:19]([H])([C:17](=[O:16])[O:18][H:40])[C:21]([C:22]1:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1[H:45])([H:46])[H:47].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:20]
Derived Operators
EVODEX.1-F439 - Elemental Balance
| C | 10 |
| O | 3 |
| N | 2 |
| H | 12 |
EVODEX.1-M422 - Mass Difference
208.08486
EVODEX.1-E1248 - Reaction Operator E
[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:3]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6](-[#6]1:[#6](-[#7](-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C465 - Reaction Operator C
[#6:19]=[#8:20]>>[H]-[#7](-[H])-[#6:19]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
EVODEX.1-N565 - Reaction Operator N
[#6:17]-[#6:19](=[#8:20])-[#6:21]>>[H]-[#7](-[H])-[#6:19](-[H])(-[#6:17])-[#6:21].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
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-R3823
[H][C@@:11]([C:10]([C:8]([C:7]1:[C:2]([N:1]([H:38])[H:39]):[C:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]:1[H:31])=[O:9])([H:36])[H:37])([N:12]([H:32])[H:33])[C:13](=[O:14])[O:15][H:34].[O:16]=[C:17]([O:18][H:40])[C:19](=[O:20])[C:21]([C:22]1:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1[H:45])([H:46])[H:47]>>[H][C@@:19]([N:12]([H:32])[H:33])([C:17](=[O:16])[O:18][H:40])[C:21]([C:22]1:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1[H:45])([H:46])[H:47].[N:1]([C:2]1:[C:3]([H:28]):[C:4]([H:29]):[C:5]([H:30]):[C:6]([H:31]):[C:7]:1[C:8](=[O:9])[C:10]([C:11]([C:13](=[O:14])[O:15][H:34])=[O:20])([H:36])[H:37])([H:38])[H:39]