SMIRKS
[H]OP(=O)(O[H])O[P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68].[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[O:12][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93]>>[H]OC(=O)[C@@]([H])(N([H])[C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:93])[N:3]([H:80])[H:81])[H:92])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([N:9]([H:82])[H:83])[H:85])=[O:11])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[O:12]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68])[H:84]
Derived Operators
EVODEX.1-F556 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 3 |
| H | 6 |
EVODEX.1-M173 - Mass Difference
57.092679999999994
EVODEX.1-E1379 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8:10]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:87])-[#6@:51](-[#6@:32])(-[#8:52])-[H:89])>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:10](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:89])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:87])
EVODEX.1-C797 - Reaction Operator C
[#6:21]-[#8:23].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:21])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[#8:23]-[#15:43]
EVODEX.1-N1008 - Reaction Operator N
[#6:21](-[#6@@:13])(=[#8:22])-[#8:23]-[H:62].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43](-[#8:42])(=[#8:44])-[#8:45]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:21](-[#6@@:13])=[#8:22])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[#8:23](-[#15:43](-[#8:42])(=[#8:44])-[#8:45])-[H:62]
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-R7747
[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:55]):[N:18]:[C:19]([H:56]):[N:20]:1[H:57])([H:58])[H:59])([C:21](=[O:22])[O:23][H:60])[H:61])[H:62].[N:24]([C:25]1:[N:26]:[C:27]([H:64]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:65]):[N:33]:2[C@:34]1([H:66])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70])([H:71])[H:72])([H:73])[C@:51]([O:52][H:74])([H:75])[C@:53]1([O:54][H:76])[H:77])([H:78])[H:79].[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[O:12][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93]>>[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:55]):[N:18]:[C:19]([H:56]):[N:20]:1[H:57])([H:58])[H:59])([C:21](=[O:22])[O:23][H:60])[H:61])[H:62])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93].[O:12]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68])[H:84].[H][O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]