SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:25]([C@:5]([C:4]([C:2]([C:1]([H:75])([H:76])[H:77])([C:3]([H:39])([H:40])[H:41])[H:74])([H:72])[H:73])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:15]([C:16](=[O:17])[O:18][C:19]1:[C:20]([H:52]):[C:21]([H:53]):[C:22]([H:54]):[C:23]([H:55]):[C:24]:1[H:56])[H:57])[H:58])[H:59])[H:71])=[O:26])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:25]([C@:5]([C:4]([C:2]([C:1]([H:75])([H:76])[H:77])([C:3]([H:39])([H:40])[H:41])[H:74])([H:72])[H:73])([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:15]([C:16](=[O:17])[O:18][C:19]1:[C:20]([H:52]):[C:21]([H:53]):[C:22]([H:54]):[C:23]([H:55]):[C:24]:1[H:56])[H:57])[H:58])[H:59])[H:71])=[O:26]
Derived Operators
EVODEX.1-F483 - Elemental Balance
| C | -6 |
| O | -2 |
| N | -2 |
| H | -10 |
EVODEX.1-M460 - Mass Difference
-142.07430000000002
EVODEX.1-E1299 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[H])(-[H])-[H])(-[#7](-[#6:9](=[#8:10])-[#6@:11])-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#6:9](=[#8:10])(-[#6@:11])-[#8]-[H]
EVODEX.1-C565 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25]
EVODEX.1-N718 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:25](-[#6@:5])=[#8:26])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:25](-[#6@:5])=[#8:26]
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-R6107
[C:1]([C:2]([C:3]([H:39])([H:40])[H:41])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:15]([C:16](=[O:17])[O:18][C:19]1:[C:20]([H:52]):[C:21]([H:53]):[C:22]([H:54]):[C:23]([H:55]):[C:24]:1[H:56])[H:57])[H:58])[H:59])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([H:60])([H:61])[H:62])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([H:63])([H:64])[H:65])([C:35](=[O:36])[O:37][H:66])[H:67])[H:68])[H:69])[H:70])[H:71])([H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[H][O:38][H:78]>>[C:1]([C:2]([C:3]([H:39])([H:40])[H:41])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([N:15]([C:16](=[O:17])[O:18][C:19]1:[C:20]([H:52]):[C:21]([H:53]):[C:22]([H:54]):[C:23]([H:55]):[C:24]:1[H:56])[H:57])[H:58])[H:59])([C:25](=[O:26])[O:38][H:78])[H:71])([H:72])[H:73])[H:74])([H:75])([H:76])[H:77].[H][N:27]([C@@:28]([C:29]([H:60])([H:61])[H:62])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([H:63])([H:64])[H:65])([C:35](=[O:36])[O:37][H:66])[H:67])[H:68])[H:69])[H:70]