SMIRKS
[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:57]):[C:18]([H:58]):[C:19]([O:20][H:59]):[C:21]([H:60]):[C:22]:1[H:61])([H:62])[H:63])([C:23](=[O:24])[O:25][H:64])[H:65])[H:66]>>[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:57]):[C:18]([H:58]):[C:19]([O:20][H:59]):[C:21]([H:60]):[C:22]:1[H:61])([H:62])[H:63])([C:23](=[O:24])[O:25][H:64])[H:65])[H:66])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-R7856
[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:57]):[C:18]([H:58]):[C:19]([O:20][H:59]):[C:21]([H:60]):[C:22]:1[H:61])([H:62])[H:63])([C:23](=[O:24])[O:25][H:64])[H:65])[H:66].[N:26]([C:27]1:[N:28]:[C:29]([H:68]):[N:30]:[C:31]2:[C:32]:1:[N:33]:[C:34]([H:69]):[N:35]:2[C@:36]1([H:70])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:71])[O:44][P:45](=[O:46])([O:47][H:72])[O:48][P:49](=[O:50])([O:51][H:73])[O:52][H:74])([H:75])[H:76])([H:77])[C@:53]([O:54][H:78])([H:79])[C@:55]1([O:56][H:80])[H:81])([H:82])[H:83].[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:86])[H:87])([C:10](=[O:11])[O:12][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])[H:97]>>[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:86])[H:87])([C:10](=[O:11])[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:57]):[C:18]([H:58]):[C:19]([O:20][H:59]):[C:21]([H:60]):[C:22]:1[H:61])([H:62])[H:63])([C:23](=[O:24])[O:25][H:64])[H:65])[H:66])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])[H:96])[H:97].[O:12]([P:45]([O:44][P:41]([O:40][C:39]([C@@:38]1([H:77])[O:37][C@:36]([N:35]2:[C:31]3:[N:30]:[C:29]([H:68]):[N:28]:[C:27]([N:26]([H:82])[H:83]):[C:32]:3:[N:33]:[C:34]:2[H:69])([H:70])[C@@:55]([O:56][H:80])([H:81])[C@@:53]1([O:54][H:78])[H:79])([H:75])[H:76])(=[O:42])[O:43][H:71])(=[O:46])[O:47][H:72])[H:88].[H][O:48][P:49](=[O:50])([O:51][H:73])[O:52][H:74]