SMIRKS
[H][N:3]([C@@:2]([C:1]([H:52])([H:53])[H:54])([C:4](=[O:5])[O:6][H:50])[H:51])[H:48].[H]OP(=O)(O[H])O[P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:64])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:55]):[N:19]:[C:18]([N:17]([H:69])[H:70]):[C:23]:3:[N:24]:[C:25]:2[H:56])([H:57])[C@@:46]([O:47][H:67])([H:68])[C@@:44]1([O:45][H:65])[H:66])([H:62])[H:63])(=[O:33])[O:34][H:58])(=[O:37])[O:38][H:59]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:3]([C@@:2]([C:1]([H:52])([H:53])[H:54])([C:4](=[O:5])[O:6][H:50])[H:51])[H:48])N([H])[H].[H]O[P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:64])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:55]):[N:19]:[C:18]([N:17]([H:69])[H:70]):[C:23]:3:[N:24]:[C:25]:2[H:56])([H:57])[C@@:46]([O:47][H:67])([H:68])[C@@:44]1([O:45][H:65])[H:66])([H:62])[H:63])(=[O:33])[O:34][H:58])(=[O:37])[O:38][H:59]
Derived Operators
EVODEX.1-F461 - Elemental Balance
| P | -1 |
| O | -1 |
| C | 5 |
| N | 2 |
| H | 7 |
EVODEX.1-M442 - Mass Difference
48.09231
EVODEX.1-E1272 - Reaction Operator E
[#7:11](-[#6@@:12])(-[H:67])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:54]-[#6@@:53](-[#6@@:38])(-[H:90])-[#6@:55](-[#6@:36])(-[#8:56])-[H:92])>>[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:67])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].([#8]-[H].[#8:56]-[#6@:55](-[#6@:36])(-[H:92])-[#6@@:53](-[#6@@:38])(-[#8:54])-[H:90])
EVODEX.1-C831 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6])-[#7](-[H])-[H].[H]-[#8]
EVODEX.1-N1042 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:54].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:54])-[#7](-[H])-[H].[H]-[#8]
Source Full Reactions
EVODEX.1-R7846
[H][N:3]([C@@:2]([C:1]([H:52])([H:53])[H:54])([C:4](=[O:5])[O:6][H:50])[H:51])[H:48].[N:17]([C:18]1:[N:19]:[C:20]([H:55]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:56]):[N:26]:2[C@:27]1([H:57])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:58])[O:35][P:36](=[O:37])([O:38][H:59])[O:39][P:40](=[O:41])([O:42][H:60])[O:43][H:61])([H:62])[H:63])([H:64])[C@:44]([O:45][H:65])([H:66])[C@:46]1([O:47][H:67])[H:68])([H:69])[H:70].[N:7]([C:8](=[O:9])[C:10]([C:11]([C@:12]([N:13]([H:71])[H:72])([C:14](=[O:15])[O:16][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80]>>[C:1]([C@:2]([N:3]([C:14]([C@:12]([C:11]([C:10]([C:8]([N:7]([H:79])[H:80])=[O:9])([H:77])[H:78])([H:75])[H:76])([N:13]([H:71])[H:72])[H:74])=[O:15])[H:48])([C:4](=[O:5])[O:6][H:50])[H:51])([H:52])([H:53])[H:54].[O:16]([P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:64])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:55]):[N:19]:[C:18]([N:17]([H:69])[H:70]):[C:23]:3:[N:24]:[C:25]:2[H:56])([H:57])[C@@:46]([O:47][H:67])([H:68])[C@@:44]1([O:45][H:65])[H:66])([H:62])[H:63])(=[O:33])[O:34][H:58])(=[O:37])[O:38][H:59])[H:73].[H][O:39][P:40](=[O:41])([O:42][H:60])[O:43][H:61]