SMIRKS
[H]N([H])[C@@:6]([H])([C:5]([C:4]([C:3]([C@:2]([N:1]([H:38])[H:39])([C:11](=[O:12])[O:13][H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[C:8](=[O:9])[O:10][H:28].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:18]>>[N:1]([C@@:2]([C:3]([C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:28])=[O:18])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:11](=[O:12])[O:13][H:36])[H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F195 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M176 - Mass Difference
-165.07903
EVODEX.1-E895 - Reaction Operator E
[#6:2]-[#6:6](-[#7](-[H])-[H])(-[#6:8]=[#8:9])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8:15])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#6:2]-[#6:6](-[#6:8]=[#8:9])=[#8:15]
EVODEX.1-C1290 - Reaction Operator C
([H]-[#7](-[H])-[#6@@:6]-[H].[#6@:2]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:18]>>([#6:6]=[#8:18].[#6@@:2])
EVODEX.1-N1606 - Reaction Operator N
([H]-[#7](-[H])-[#6@@:6](-[H])(-[#6:5])-[#6:8].[#6:3]-[#6@:2](-[#7:1])(-[#6:11])-[H:37]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:18]>>([#7:1]-[#6@@:2](-[#6:3])(-[#6:11])-[H:37].[#6:5]-[#6:6](-[#6:8])=[#8:18])
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3819
[H][C@@:6]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:38])[H:39])([C:11](=[O:12])[O:13][H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([N:7]([H:26])[H:27])[C:8](=[O:9])[O:10][H:28].[O:14]=[C:15]([O:16][H:40])[C:17](=[O:18])[C:19]([C:20]1:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1[H:45])([H:46])[H:47]>>[N:1]([C@@:2]([C:3]([C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:28])=[O:18])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:11](=[O:12])[O:13][H:36])[H:37])([H:38])[H:39].[H][C@@:17]([N:7]([H:26])[H:27])([C:15](=[O:14])[O:16][H:40])[C:19]([C:20]1:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1[H:45])([H:46])[H:47]