SMIRKS
[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].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:97])[N:3]([H:84])[H:85])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([C:10](=[O:11])[O:12][H:88])[H:89])[H:86]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:97])[N:3]([H:84])[H:85])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([C:10](=[O:11])[O:12][H:88])[H:89])[H:86])N([H])[H]):C([H]):C:1[H].[H]O[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].[H][O:44][P:45](=[O:46])([O:47][H:72])[O:48][P:49](=[O:50])([O:51][H:73])[O:52][H:74]
Derived Operators
EVODEX.1-F88 - Elemental Balance
| O | 3 |
| C | 9 |
| N | 1 |
| H | 11 |
EVODEX.1-M61 - Mass Difference
181.07393
EVODEX.1-E657 - Reaction Operator E
([#8:37]-[#15:38](=[#8:39])(-[#8:40])-[#8:41]-[#15:42].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:61])-[#6@:48](-[#6@:29])(-[#8:49])-[H:63]).[#7:1](-[#6:2])(-[H:69])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:69].([#8](-[#15:38](-[#8:37])(=[#8:39])-[#8:40])-[H].[#8:49]-[#6@:48](-[#6@:29])(-[H:63])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:61]).[#8:41](-[#15:42])-[H]
EVODEX.1-C813 - Reaction Operator C
[H]-[#7:1].([#15:40]-[#8:43].[#6@:48]-[#6@:50])>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].([H]-[#8]-[#15:40].[#6@@:50]-[#6@@:48]).[H]-[#8:43]
EVODEX.1-N1024 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:57].([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]-[#15:44].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:70])-[#6@:50](-[#6@:31])(-[#8:51])-[H:72])>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:57])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].([H]-[#8]-[#15:40](-[#8:39])(=[#8:41])-[#8:42].[#8:51]-[#6@:50](-[#6@:31])(-[H:72])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:70]).[H]-[#8:43]-[#15:44]
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-R7689
[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:67].[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].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:97])[N:3]([H:84])[H:85])[H:96])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([C:10](=[O:11])[O:12][H:88])[H:89])[H:86]>>[N:1](=[C:2]([N:3]([H:84])[H:85])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:23]([C@@:14]([N:13]([H:66])[H:67])([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])[H:65])=[O:24])[H:86])([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].[O:25]([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])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:72])[O:48][P:49](=[O:50])([O:51][H:73])[O:52][H:74]