SMIRKS
[O:16]=[C:17]([O:18][H:39])[C:19]([C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46]>>[H]N([H])[C:22]([H])([C:21]([C:20]([C:19]([C:17](=[O:16])[O:18][H:39])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[C:24](=[O:25])[O:26][H:40].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:23]
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-R3825
[H][C@@:11]([C:10]([C:8]([C:7]1:[C:2]([N:1]([H:37])[H:38]):[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]:1[H:30])=[O:9])([H:35])[H:36])([N:12]([H:31])[H:32])[C:13](=[O:14])[O:15][H:33].[O:16]=[C:17]([O:18][H:39])[C:19]([C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46]>>[H][C:22]([N:12]([H:31])[H:32])([C:21]([C:20]([C:19]([C:17](=[O:16])[O:18][H:39])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])[C:24](=[O:25])[O:26][H:40].[N:1]([C:2]1:[C:3]([H:27]):[C:4]([H:28]):[C:5]([H:29]):[C:6]([H:30]):[C:7]:1[C:8](=[O:9])[C:10]([C:11]([C:13](=[O:14])[O:15][H:33])=[O:23])([H:35])[H:36])([H:37])[H:38]