SMIRKS
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:54]):[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]:1[H:58])([H:59])[H:60])([C:20](=[O:21])[O:22][H:61])[H:62])[H:63].[H]OP(=O)(O[H])O[P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:84])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:75]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:76])([H:77])[C@@:52]([O:53][H:87])([H:88])[C@@:50]1([O:51][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:78])(=[O:43])[O:44][H:79]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:54]):[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]:1[H:58])([H:59])[H:60])([C:20](=[O:21])[O:22][H:61])[H:62])[H:63])N([H])[H].[H]O[P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:84])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:75]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:76])([H:77])[C@@:52]([O:53][H:87])([H:88])[C@@:50]1([O:51][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:78])(=[O:43])[O:44][H:79]
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-R7749
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:54]):[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]:1[H:58])([H:59])[H:60])([C:20](=[O:21])[O:22][H:61])[H:62])[H:63].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:65])[H:66])([C:8](=[O:9])[O:10][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74].[N:23]([C:24]1:[N:25]:[C:26]([H:75]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:76]):[N:32]:2[C@:33]1([H:77])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:78])[O:41][P:42](=[O:43])([O:44][H:79])[O:45][P:46](=[O:47])([O:48][H:80])[O:49][H:81])([H:82])[H:83])([H:84])[C@:50]([O:51][H:85])([H:86])[C@:52]1([O:53][H:87])[H:88])([H:89])[H:90]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:65])[H:66])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:54]):[C:16]([H:55]):[C:17]([H:56]):[C:18]([H:57]):[C:19]:1[H:58])([H:59])[H:60])([C:20](=[O:21])[O:22][H:61])[H:62])[H:63])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74].[O:10]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:84])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:75]):[N:25]:[C:24]([N:23]([H:89])[H:90]):[C:29]:3:[N:30]:[C:31]:2[H:76])([H:77])[C@@:52]([O:53][H:87])([H:88])[C@@:50]1([O:51][H:85])[H:86])([H:82])[H:83])(=[O:39])[O:40][H:78])(=[O:43])[O:44][H:79])[H:67].[H][O:45][P:46](=[O:47])([O:48][H:80])[O:49][H:81]