SMIRKS
[H]O[C:7]([C@:5]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:63])([H:64])[H:65])[H:72])([H:70])[H:71])([N:6]([H:66])[H:67])[H:69])=[O:8]>>[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:63])([H:64])[H:65])[H:72])([H:70])[H:71])([N:6]([H:66])[H:67])[H:69])=[O:8])[C@@]([H])(C([H])([H])[H])C([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-E828 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C834 - Reaction Operator C
[H]-[#8]-[#6:42]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N1045 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[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-R7771
[H][N:15]([C@@:14]([C@:12]([C:11]([C:10]([H:60])([H:61])[H:62])([H:58])[H:59])([C:13]([H:50])([H:51])[H:52])[H:57])([C:16](=[O:17])[O:18][H:55])[H:56])[H:53].[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4]([C@:5]([N:6]([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[N:19]([C:20]1:[N:21]:[C:22]([H:76]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:77]):[N:28]:2[C@:29]1([H:78])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:79])[O:37][P:38](=[O:39])([O:40][H:80])[O:41][P:42](=[O:43])([O:44][H:81])[O:45][H:82])([H:83])[H:84])([H:85])[C@:46]([O:47][H:86])([H:87])[C@:48]1([O:49][H:88])[H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4]([C@:5]([N:6]([H:66])[H:67])([C:7](=[O:8])[N:15]([C@@:14]([C@:12]([C:11]([C:10]([H:60])([H:61])[H:62])([H:58])[H:59])([C:13]([H:50])([H:51])[H:52])[H:57])([C:16](=[O:17])[O:18][H:55])[H:56])[H:53])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][O:41][P:42](=[O:43])([O:44][H:81])[O:45][H:82].[O:9]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:85])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:76]):[N:21]:[C:20]([N:19]([H:90])[H:91]):[C:25]:3:[N:26]:[C:27]:2[H:77])([H:78])[C@@:48]([O:49][H:88])([H:89])[C@@:46]1([O:47][H:86])[H:87])([H:83])[H:84])(=[O:35])[O:36][H:79])(=[O:39])[O:40][H:80])[H:68]