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:40])[H:41])([C:12]([C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])[H:49])([H:50])[H:51])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:40])[H:41])([C:12]([C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])[H:49])([H:50])[H:51]
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-R5548
[C:1]([C:2]([C:3]([C:4]([H:37])([H:38])[H:39])([C@:5]([N:6]([C:7](=[O:8])[C:9]([C@@:10]([N:11]([H:40])[H:41])([C:12]([C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])[H:49])([H:50])[H:51])[H:52])([C:20](=[O:21])[N:22]([C@:23]([C:24]([C:25](=[O:26])[O:27][H:53])([H:54])[H:55])([C:28]([C:29]1:[C:30]([H:56]):[C:31]([H:57]):[C:32]([O:33][H:58]):[C:34]([H:59]):[C:35]:1[H:60])([H:61])[H:62])[H:63])[H:64])[H:65])[H:66])([H:67])[H:68])([H:69])([H:70])[H:71].[H][O:36][H:72]>>[C:7](=[O:8])([C:9]([C@@:10]([N:11]([H:40])[H:41])([C:12]([C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][H:44]):[C:18]([H:45]):[C:19]:1[H:46])([H:47])[H:48])[H:49])([H:50])[H:51])[O:36][H:72].[H][N:6]([C@@:5]([C:3]([C:2]([C:1]([H:69])([H:70])[H:71])([H:67])[H:68])([C:4]([H:37])([H:38])[H:39])[H:66])([C:20](=[O:21])[N:22]([C@:23]([C:24]([C:25](=[O:26])[O:27][H:53])([H:54])[H:55])([C:28]([C:29]1:[C:30]([H:56]):[C:31]([H:57]):[C:32]([O:33][H:58]):[C:34]([H:59]):[C:35]:1[H:60])([H:61])[H:62])[H:63])[H:64])[H:65])[H:52]