SMIRKS
[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4]([C@:5]([N:6]([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H]OP(=O)(O[H])O[P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:85])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:76]):[N:21]:[C:20]([N:19]([H:90])[H:91]):[C:25]:3:[N:26]:[C:27]:2[H:77])([H:78])[C@@:48]([O:49][H:88])([H:89])[C@@:46]1([O:47][H:86])[H:87])([H:83])[H:84])(=[O:35])[O:36][H:79])(=[O:39])[O:40][H:80]>>[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C:4]([C:2]([C:1]([H:73])([H:74])[H:75])([C:3]([H:63])([H:64])[H:65])[H:72])([H:70])[H:71])([N:6]([H:66])[H:67])[H:69])=[O:8])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H].[O:9]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:85])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:76]):[N:21]:[C:20]([N:19]([H:90])[H:91]):[C:25]:3:[N:26]:[C:27]:2[H:77])([H:78])[C@@:48]([O:49][H:88])([H:89])[C@@:46]1([O:47][H:86])[H:87])([H:83])[H:84])(=[O:35])[O:36][H:79])(=[O:39])[O:40][H:80])[H:68]
Derived Operators
EVODEX.1-F565 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 1 |
| H | 10 |
EVODEX.1-M533 - Mass Difference
33.1178
EVODEX.1-E1388 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:109].([#8:72]-[#15:73](=[#8:74])(-[#8:75])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:82]-[#6@@:81](-[#6@@:66])(-[H:140])-[#6@:83](-[#6@:64])(-[#8:84])-[H:142])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6@](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:73](-[#8:72])(=[#8:74])-[#8:75])-[H:109].[#8:84]-[#6@:83](-[#6@:64])(-[H:142])-[#6@@:81](-[#6@@:66])(-[#8:82])-[H:140])
EVODEX.1-C833 - Reaction Operator C
[#6:20]-[#8:22].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22]-[#15:42]
EVODEX.1-N1044 - Reaction Operator N
[#6:20](-[#6@@:11])(=[#8:21])-[#8:22]-[H:74].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:20](-[#6@@:11])=[#8:21])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[#8:22](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:74]
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-R7771
[H][N:15]([C@@:14]([C@:12]([C:11]([C:10]([H:60])([H:61])[H:62])([H:58])[H:59])([C:13]([H:50])([H:51])[H:52])[H:57])([C:16](=[O:17])[O:18][H:55])[H:56])[H:53].[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4]([C@:5]([N:6]([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[N:19]([C:20]1:[N:21]:[C:22]([H:76]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:77]):[N:28]:2[C@:29]1([H:78])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:79])[O:37][P:38](=[O:39])([O:40][H:80])[O:41][P:42](=[O:43])([O:44][H:81])[O:45][H:82])([H:83])[H:84])([H:85])[C@:46]([O:47][H:86])([H:87])[C@:48]1([O:49][H:88])[H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4]([C@:5]([N:6]([H:66])[H:67])([C:7](=[O:8])[N:15]([C@@:14]([C@:12]([C:11]([C:10]([H:60])([H:61])[H:62])([H:58])[H:59])([C:13]([H:50])([H:51])[H:52])[H:57])([C:16](=[O:17])[O:18][H:55])[H:56])[H:53])[H:69])([H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][O:41][P:42](=[O:43])([O:44][H:81])[O:45][H:82].[O:9]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:85])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:76]):[N:21]:[C:20]([N:19]([H:90])[H:91]):[C:25]:3:[N:26]:[C:27]:2[H:77])([H:78])[C@@:48]([O:49][H:88])([H:89])[C@@:46]1([O:47][H:86])[H:87])([H:83])[H:84])(=[O:35])[O:36][H:79])(=[O:39])[O:40][H:80])[H:68]