SMIRKS
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60].[N:22]([C:23]1:[N:24]:[C:25]([H:72]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:73]):[N:31]:2[C@:32]1([H:74])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:75])[O:40][P:41](=[O:42])([O:43][H:76])[O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78])([H:79])[H:80])([H:81])[C@:49]([O:50][H:82])([H:83])[C@:51]1([O:52][H:84])[H:85])([H:86])[H:87]>>[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:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60])N([H])[H].[H]O[P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:81])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:72]):[N:24]:[C:23]([N:22]([H:86])[H:87]):[C:28]:3:[N:29]:[C:30]:2[H:73])([H:74])[C@@:51]([O:52][H:84])([H:85])[C@@:49]1([O:50][H:82])[H:83])([H:79])[H:80])(=[O:38])[O:39][H:75])(=[O:42])[O:43][H:76].[H][O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78]
Derived Operators
EVODEX.1-F316 - Elemental Balance
| O | 3 |
| C | 5 |
| N | 2 |
| H | 10 |
EVODEX.1-M147 - Mass Difference
146.06920000000002
EVODEX.1-E1092 - Reaction Operator E
[#7:11](-[#6@@:12])(-[H:67])-[H].([#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49].[#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](-[#15:45](-[#8:44])(=[#8:46])-[#8:47])-[H].[#8:56]-[#6@:55](-[#6@:36])(-[H:92])-[#6@@:53](-[#6@@:38])(-[#8:54])-[H:90]).[#8:48](-[#15:49])-[H]
EVODEX.1-C829 - Reaction Operator C
[H]-[#7:5].([#15:38]-[#8:41].[#6@:46]-[#6@:48])>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H].([H]-[#8]-[#15:38].[#6@@:48]-[#6@@:46]).[H]-[#8:41]
EVODEX.1-N1040 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:53].([#8:37]-[#15:38](=[#8:39])(-[#8:40])-[#8:41]-[#15:42].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:72])-[#6@:48](-[#6@:29])(-[#8:49])-[H:74])>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:53])-[#7](-[H])-[H].([H]-[#8]-[#15:38](-[#8:37])(=[#8:39])-[#8:40].[#8:49]-[#6@:48](-[#6@:29])(-[H:74])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:72]).[H]-[#8:41]-[#15:42]
EVODEX.1-Em22 - Reaction Operator Em
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
EVODEX.1-Cm36 - Reaction Operator Cm
[H]-[#7:47].[#15:74]-[#8:77]>>[#6]-[#7:47].[#8]-[#15:74].[H]-[#8:77]
EVODEX.1-Nm22 - Reaction Operator Nm
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
Source Full Reactions
EVODEX.1-R7764
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[O:10][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[N:22]([C:23]1:[N:24]:[C:25]([H:72]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:73]):[N:31]:2[C@:32]1([H:74])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:75])[O:40][P:41](=[O:42])([O:43][H:76])[O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78])([H:79])[H:80])([H:81])[C@:49]([O:50][H:82])([H:83])[C@:51]1([O:52][H:84])[H:85])([H:86])[H:87]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71].[O:10]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:81])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:72]):[N:24]:[C:23]([N:22]([H:86])[H:87]):[C:28]:3:[N:29]:[C:30]:2[H:73])([H:74])[C@@:51]([O:52][H:84])([H:85])[C@@:49]1([O:50][H:82])[H:83])([H:79])[H:80])(=[O:38])[O:39][H:75])(=[O:42])[O:43][H:76])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:77])[O:48][H:78]