SMIRKS
[H]C1:C([H]):C([H]):C(C(=O)N([H])C([H])([H])C(=O)[N:13]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:48])([H:49])[H:50])([C:26](=[O:27])[O:28][H:46])[H:47])[H:45])=[O:5])([C:7]([C:8]2:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:2[H:32])([H:33])[H:34])[H:44])[H:43]):C([H]):C:1[H]>>[H][N:13]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:48])([H:49])[H:50])([C:26](=[O:27])[O:28][H:46])[H:47])[H:45])=[O:5])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:44])[H:43]
Derived Operators
EVODEX.1-F244 - Elemental Balance
| C | -9 |
| O | -2 |
| N | -1 |
| H | -7 |
EVODEX.1-M301 - Mass Difference
-161.04771
EVODEX.1-E968 - Reaction Operator E
[#7:3](-[#6@:2])(-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])(-[H])-[H])-[H:37]>>[#7:3](-[#6@:2])(-[H:37])-[H]
EVODEX.1-C605 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8]
EVODEX.1-N762 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6@@:7])-[H:33]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8](-[#6@@:7])-[H:33]
Source Full Reactions
EVODEX.1-R5653
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])([N:13]([C:14](=[O:15])[C:16]([N:17]([C:18](=[O:19])[C:20]1:[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([H:38]):[C:25]:1[H:39])[H:40])([H:41])[H:42])[H:43])[H:44])[H:45])([C:26](=[O:27])[O:28][H:46])[H:47])([H:48])([H:49])[H:50].[H][O:29][H:51]>>[C:14](=[O:15])([C:16]([N:17]([C:18](=[O:19])[C:20]1:[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([H:38]):[C:25]:1[H:39])[H:40])([H:41])[H:42])[O:29][H:51].[H][N:13]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:48])([H:49])[H:50])([C:26](=[O:27])[O:28][H:46])[H:47])[H:45])=[O:5])([C:7]([C:8]1:[C:9]([H:30]):[N:10]:[C:11]([H:31]):[N:12]:1[H:32])([H:33])[H:34])[H:44])[H:43]