SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7](=[O:8])[O:9][H:54])([H:55])[H:56])([C:10](=[O:11])[O:12][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H]OP(=O)(O[H])O[P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:81])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:72]):[N:25]:[C:24]([N:23]([H:86])[H:87]):[C:29]:3:[N:30]:[C:31]:2[H:73])([H:74])[C@@:52]([O:53][H:84])([H:85])[C@@:50]1([O:51][H:82])[H:83])([H:79])[H:80])(=[O:39])[O:40][H:75])(=[O:43])[O:44][H:76]>>[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:10]([C@@:5]([N:4]([C:2]([C:1]([H:60])([H:61])[H:62])=[O:3])[H:59])([C:6]([C:7](=[O:8])[O:9][H:54])([H:55])[H:56])[H:58])=[O:11].[O:12]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:81])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:72]):[N:25]:[C:24]([N:23]([H:86])[H:87]):[C:29]:3:[N:30]:[C:31]:2[H:73])([H:74])[C@@:52]([O:53][H:84])([H:85])[C@@:50]1([O:51][H:82])[H:83])([H:79])[H:80])(=[O:39])[O:40][H:75])(=[O:43])[O:44][H:76])[H:57]
Derived Operators
EVODEX.1-F416 - Elemental Balance
| P | -1 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M161 - Mass Difference
49.07628
EVODEX.1-E1225 - Reaction Operator E
[#6:27](-[#6@@:25])(=[#8:28])-[#8:29]-[H:87].([#8:58]-[#15:59](=[#8:60])(-[#8:61])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:68]-[#6@@:67](-[#6@@:52])(-[H:116])-[#6@:69](-[#6@:50])(-[#8:70])-[H:118])>>[#6:27](-[#6@@:25])(=[#8:28])-[#7](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:29](-[#15:59](-[#8:58])(=[#8:60])-[#8:61])-[H:87].[#8:70]-[#6@:69](-[#6@:50])(-[H:118])-[#6@@:67](-[#6@@:52])(-[#8:68])-[H:116])
EVODEX.1-C1151 - Reaction Operator C
[#6:10]-[#8:12].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10].[#8:12]-[#15:42]
EVODEX.1-N1427 - Reaction Operator N
[#6:10](-[#6@@:5])(=[#8:11])-[#8:12]-[H:57].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:10](-[#6@@:5])=[#8:11].[#8:12](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:57]
EVODEX.1-Em25 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Nm25 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7735
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7](=[O:8])[O:9][H:54])([H:55])[H:56])([C:10](=[O:11])[O:12][H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][N:13]([C@@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:63])([H:64])[H:65])([H:66])[H:67])([C:20](=[O:21])[O:22][H:68])[H:69])[H:70].[N:23]([C:24]1:[N:25]:[C:26]([H:72]):[N:27]:[C:28]2:[C:29]:1:[N:30]:[C:31]([H:73]):[N:32]:2[C@:33]1([H:74])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:75])[O:41][P:42](=[O:43])([O:44][H:76])[O:45][P:46](=[O:47])([O:48][H:77])[O:49][H:78])([H:79])[H:80])([H:81])[C@:50]([O:51][H:82])([H:83])[C@:52]1([O:53][H:84])[H:85])([H:86])[H:87]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7](=[O:8])[O:9][H:54])([H:55])[H:56])([C:10](=[O:11])[N:13]([C@@:14]([C:15]([C:16]([C:17](=[O:18])[O:19][H:63])([H:64])[H:65])([H:66])[H:67])([C:20](=[O:21])[O:22][H:68])[H:69])[H:70])[H:58])[H:59])([H:60])([H:61])[H:62].[O:12]([P:42]([O:41][P:38]([O:37][C:36]([C@@:35]1([H:81])[O:34][C@:33]([N:32]2:[C:28]3:[N:27]:[C:26]([H:72]):[N:25]:[C:24]([N:23]([H:86])[H:87]):[C:29]:3:[N:30]:[C:31]:2[H:73])([H:74])[C@@:52]([O:53][H:84])([H:85])[C@@:50]1([O:51][H:82])[H:83])([H:79])[H:80])(=[O:39])[O:40][H:75])(=[O:43])[O:44][H:76])[H:57].[H][O:45][P:46](=[O:47])([O:48][H:77])[O:49][H:78]