SMIRKS
[H]O[C:16]([C@@:11]([N:10]([H:68])[H:69])([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])[H:67])=[O:17]>>[H]OC(=O)[C@@]([H])(N([H])[C:16]([C@@:11]([N:10]([H:68])[H:69])([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])[H:67])=[O:17])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-R7759
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:60])([H:61])[H:62])([C:3]([H:50])([H:51])[H:52])[H:59])([H:57])[H:58])([C:7](=[O:8])[O:9][H:55])[H:56])[H:53].[N:10]([C@@:11]([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])([C:16](=[O:17])[O:18][H:66])[H:67])([H:68])[H:69].[N:19]([C:20]1:[N:21]:[C:22]([H:70]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:71]):[N:28]:2[C@:29]1([H:72])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:73])[O:37][P:38](=[O:39])([O:40][H:74])[O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76])([H:77])[H:78])([H:79])[C@:46]([O:47][H:80])([H:81])[C@:48]1([O:49][H:82])[H:83])([H:84])[H:85]>>[C:1]([C:2]([C:3]([H:50])([H:51])[H:52])([C:4]([C@:5]([N:6]([C:16]([C@@:11]([N:10]([H:68])[H:69])([C:12]([C:13](=[O:14])[O:15][H:63])([H:64])[H:65])[H:67])=[O:17])[H:53])([C:7](=[O:8])[O:9][H:55])[H:56])([H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:79])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:70]):[N:21]:[C:20]([N:19]([H:84])[H:85]):[C:25]:3:[N:26]:[C:27]:2[H:71])([H:72])[C@@:48]([O:49][H:82])([H:83])[C@@:46]1([O:47][H:80])[H:81])([H:77])[H:78])(=[O:35])[O:36][H:73])(=[O:39])[O:40][H:74])[H:66].[H][O:41][P:42](=[O:43])([O:44][H:75])[O:45][H:76]