SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[C:19](=[O:20])[C@@:21]([N:22]([H:49])[H:50])([C:23]([C:24]1:[C:25]([H:51]):[N:26]([H:52]):[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1:2)([H:57])[H:58])[H:59])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:19](=[O:20])[C@@:21]([N:22]([H:49])[H:50])([C:23]([C:24]1:[C:25]([H:51]):[N:26]([H:52]):[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1:2)([H:57])[H:58])[H:59]
Derived Operators
EVODEX.1-F500 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -3 |
| H | -25 |
EVODEX.1-M473 - Mass Difference
-283.18975
EVODEX.1-E1318 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6:19](=[#8:20])-[#6@:21])-[H])-[H])-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:19](=[#8:20])(-[#6@:21])-[#8]-[H]
EVODEX.1-C648 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33]
EVODEX.1-N803 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:33](-[#6@@:30])=[#8:34])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:33](-[#6@@:30])=[#8:34]
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-R5928
[C:1]([C:2]([C:3]([H:37])([H:38])[H:39])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:40])([H:41])[H:42])([C:17]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])([N:18]([C:19](=[O:20])[C@@:21]([N:22]([H:49])[H:50])([C:23]([C:24]1:[C:25]([H:51]):[N:26]([H:52]):[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1:2)([H:57])[H:58])[H:59])[H:60])[H:61])[H:62])([H:63])[H:64])[H:65])([C:33](=[O:34])[O:35][H:66])[H:67])([H:68])[H:69])[H:70])([H:71])([H:72])[H:73].[H][O:36][H:74]>>[C:19](=[O:20])([C@@:21]([N:22]([H:49])[H:50])([C:23]([C:24]1:[C:25]([H:51]):[N:26]([H:52]):[C:27]2:[C:28]([H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]([H:56]):[C:32]:1:2)([H:57])[H:58])[H:59])[O:36][H:74].[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:71])([H:72])[H:73])([C:3]([H:37])([H:38])[H:39])[H:70])([H:68])[H:69])([C:33](=[O:34])[O:35][H:66])[H:67])[H:65])=[O:8])([H:63])[H:64])[H:62])=[O:12])([C:14]([C:15]([C:16]([H:40])([H:41])[H:42])([C:17]([H:43])([H:44])[H:45])[H:46])([H:47])[H:48])[H:61])[H:60]