SMIRKS
[H]O[C:42](=[O:41])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86]>>[H]OC(=O)[C@@]([H])(N([H])[C:42](=[O:41])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
Derived Operators
EVODEX.1-F162 - Elemental Balance
| O | 1 |
| C | 6 |
| N | 1 |
| H | 11 |
EVODEX.1-M119 - Mass Difference
113.08413
EVODEX.1-E829 - Reaction Operator E
[#6:17](-[#6@:15])(=[#8:18])-[#8]-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6:17](-[#6@:15])=[#8:18])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C683 - Reaction Operator C
[H]-[#8]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:16])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N841 - Reaction Operator N
[H]-[#8]-[#6:16](-[#6@:14])=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:16](-[#6@:14])=[#8:17])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R7795
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:49])([H:50])[H:51])[H:58])([H:56])[H:57])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[O:41]=[C:42]([O:43][H:78])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])([C:4]([C@:5]([N:6]([C:42](=[O:41])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86])[H:52])([C:7](=[O:8])[O:9][H:54])[H:55])([H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:43][H:78])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[H][O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68]