SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:11]([C@:5]([C:4]([C:2]([C:1]([H:49])([H:50])[H:51])([C:3]([H:27])([H:28])[H:29])[H:48])([H:46])[H:47])([N:6]([C:7](=[O:8])[C:9]([N:10]([H:30])[H:31])([H:32])[H:33])[H:34])[H:45])=[O:12])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H].[H][O:26][H:52]>>[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:30])[H:31])([H:32])[H:33])[H:34])([C:11](=[O:12])[O:26][H:52])[H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51]
Derived Operators
EVODEX.1-F199 - Elemental Balance
| O | -3 |
| C | -9 |
| N | -1 |
| H | -11 |
EVODEX.1-M277 - Mass Difference
-181.07393
EVODEX.1-E900 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:17].[#8:1](-[H:38])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:17])-[H:38]
EVODEX.1-C916 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:11])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:26]>>[#6:11]-[#8:26]
EVODEX.1-N1146 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:11](-[#6@:5])=[#8:12])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:26]-[H:52]>>[#6:11](-[#6@:5])(=[#8:12])-[#8:26]-[H:52]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6099
[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:30])[H:31])([H:32])[H:33])[H:34])([C:11](=[O:12])[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([O:20][H:37]):[C:21]([H:38]):[C:22]:1[H:39])([H:40])[H:41])([C:23](=[O:24])[O:25][H:42])[H:43])[H:44])[H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][O:26][H:52]>>[C:1]([C:2]([C:3]([H:27])([H:28])[H:29])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([H:30])[H:31])([H:32])[H:33])[H:34])([C:11](=[O:12])[O:26][H:52])[H:45])([H:46])[H:47])[H:48])([H:49])([H:50])[H:51].[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([O:20][H:37]):[C:21]([H:38]):[C:22]:1[H:39])([H:40])[H:41])([C:23](=[O:24])[O:25][H:42])[H:43])[H:44]