SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C@@:12]1([H:42])[C:13]([H:43])([H:44])[C:14]([H:45])([H:46])[C@@:15]2([H:47])[C@:16]3([H:48])[C@@:17]([O:18][H:49])([H:50])[C:19]([H:51])([H:52])[C@:20]4([H:53])[C:21]([H:54])([H:55])[C@@:22]([O:23][H:56])([H:57])[C:24]([H:58])([H:59])[C:25]([H:60])([H:61])[C@:26]4([C:27]([H:62])([H:63])[H:64])[C@@:28]3([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[C@:31]12[C:32]([H:70])([H:71])[H:72])[H:73])([H:40])[H:41])([H:38])[H:39])=[O:6]>>[H]O[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C@@:12]1([H:42])[C:13]([H:43])([H:44])[C:14]([H:45])([H:46])[C@@:15]2([H:47])[C@:16]3([H:48])[C@@:17]([O:18][H:49])([H:50])[C:19]([H:51])([H:52])[C@:20]4([H:53])[C:21]([H:54])([H:55])[C@@:22]([O:23][H:56])([H:57])[C:24]([H:58])([H:59])[C:25]([H:60])([H:61])[C@:26]4([C:27]([H:62])([H:63])[H:64])[C@@:28]3([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[C@:31]12[C:32]([H:70])([H:71])[H:72])[H:73])([H:40])[H:41])([H:38])[H:39])=[O:6]
Derived Operators
EVODEX.1-F275 - Elemental Balance
| C | -2 |
| O | -1 |
| N | -1 |
| H | -3 |
EVODEX.1-M564 - Mass Difference
-57.02149000000001
EVODEX.1-E994 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C518 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5]>>[H]-[#8]-[#6:5]
EVODEX.1-N656 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]
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-R6335
[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C:8]([C:9](=[O:10])[O:11][H:34])([H:35])[H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([C@@:12]1([H:42])[C:13]([H:43])([H:44])[C:14]([H:45])([H:46])[C@@:15]2([H:47])[C@:16]3([H:48])[C@@:17]([O:18][H:49])([H:50])[C:19]([H:51])([H:52])[C@:20]4([H:53])[C:21]([H:54])([H:55])[C@@:22]([O:23][H:56])([H:57])[C:24]([H:58])([H:59])[C:25]([H:60])([H:61])[C@:26]4([C:27]([H:62])([H:63])[H:64])[C@@:28]3([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[C@:31]12[C:32]([H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][O:33][H:77]>>[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:33][H:77])([H:38])[H:39])([H:40])[H:41])([C@@:12]1([H:42])[C:13]([H:43])([H:44])[C:14]([H:45])([H:46])[C@@:15]2([H:47])[C@:16]3([H:48])[C@@:17]([O:18][H:49])([H:50])[C:19]([H:51])([H:52])[C@:20]4([H:53])[C:21]([H:54])([H:55])[C@@:22]([O:23][H:56])([H:57])[C:24]([H:58])([H:59])[C:25]([H:60])([H:61])[C@:26]4([C:27]([H:62])([H:63])[H:64])[C@@:28]3([H:65])[C:29]([H:66])([H:67])[C:30]([H:68])([H:69])[C@:31]12[C:32]([H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][N:7]([C:8]([C:9](=[O:10])[O:11][H:34])([H:35])[H:36])[H:37]