SMIRKS
[H]OC(=O)C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H]>>[H]O[C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37]
Derived Operators
EVODEX.1-F489 - Elemental Balance
| O | -3 |
| C | -16 |
| N | -2 |
| H | -22 |
EVODEX.1-M465 - Mass Difference
-290.16316
EVODEX.1-E1306 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8]-[H]
EVODEX.1-C583 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N739 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]
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-R5540
[C:1]([C:2]([C@:3]([C:4]([H:29])([H:30])[H:31])([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[H:38])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:52])([H:53])[H:54])([H:55])([H:56])[H:57].[H][O:28][H:58]>>[C:7](=[O:8])([C:9]([C:10]([N:11]([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[O:28][H:58].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:38]