SMIRKS
[H][N:3]([C@@:2]([C:1]([H:54])([H:55])[H:56])([C:4](=[O:5])[O:6][H:52])[H:53])[H:50]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:3]([C@@:2]([C:1]([H:54])([H:55])[H:56])([C:4](=[O:5])[O:6][H:52])[H:53])[H:50])N([H])[H]
Derived Operators
EVODEX.1-F172 - Elemental Balance
| O | 1 |
| C | 6 |
| N | 4 |
| H | 12 |
EVODEX.1-M263 - Mass Difference
156.10126
EVODEX.1-E842 - Reaction Operator E
[#7:13](-[#6@@:14])(-[H:66])-[H]>>[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]
EVODEX.1-C579 - Reaction Operator C
[H]-[#7:13]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13])-[#7](-[H])-[H]
EVODEX.1-N735 - Reaction Operator N
[H]-[#7:13](-[#6@@:14])-[H:66]>>[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:13](-[#6@@:14])-[H:66])-[#7](-[H])-[H]
Source Full Reactions
EVODEX.1-R7746
[H][N:3]([C@@:2]([C:1]([H:54])([H:55])[H:56])([C:4](=[O:5])[O:6][H:52])[H:53])[H:50].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[N:7](=[C:8]([N:9]([H:73])[H:74])[N:10]([C:11]([C:12]([C:13]([C@:14]([N:15]([H:75])[H:76])([C:16](=[O:17])[O:18][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86]>>[C:1]([C@:2]([N:3]([C:16]([C@:14]([C:13]([C:12]([C:11]([N:10]([C:8](=[N:7][H:86])[N:9]([H:73])[H:74])[H:85])([H:83])[H:84])([H:81])[H:82])([H:79])[H:80])([N:15]([H:75])[H:76])[H:78])=[O:17])[H:50])([C:4](=[O:5])[O:6][H:52])[H:53])([H:54])([H:55])[H:56].[O:18]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61])[H:77].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]