SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:18]([C:17]([N:16]([C:3](=[O:2])[C:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])([H:37])[H:38])[H:39])([H:40])[H:41])[H:54])([H:52])[H:53])=[O:19])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H]O[C:18]([C:17]([N:16]([C:3](=[O:2])[C:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])([H:37])[H:38])[H:39])([H:40])[H:41])[H:54])([H:52])[H:53])=[O:19]
Derived Operators
EVODEX.1-F197 - Elemental Balance
| O | -1 |
| C | -9 |
| N | -1 |
| H | -9 |
EVODEX.1-M177 - Mass Difference
-147.06847
EVODEX.1-E898 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#8](-[#6:8](-[#6:7])=[#8:9])-[H]
EVODEX.1-C615 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8]
EVODEX.1-N770 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6:7])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5679
[O:2]=[C:3]([C:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])([H:37])[H:38])[H:39])([H:40])[H:41])[N:16]([C:17]([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]:1[H:46])([H:47])[H:48])([C:29](=[O:30])[O:31][H:49])[H:50])[H:51])([H:52])[H:53])[H:54].[H][O:1][H:55]>>[H][N:20]([C@@:21]([C:22]([C:23]1:[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]:1[H:46])([H:47])[H:48])([C:29](=[O:30])[O:31][H:49])[H:50])[H:51].[O:1]([C:18]([C:17]([N:16]([C:3](=[O:2])[C:4]([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:32]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])([H:37])[H:38])[H:39])([H:40])[H:41])[H:54])([H:52])[H:53])=[O:19])[H:55]