SMIRKS
[H][N:26]([C:25]1:[C:23]([O:24][H:65]):[C:22]2:[C:21]([H:64]):[C:20]([H:63]):[C:18]([O:19][H:62]):[C:17]([C:16]([H:68])([H:69])[H:70]):[C:30]:2:[O:29]:[C:27]:1=[O:28])[H:66].[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])=[C:4]([C:5]([C:6]1:[C:7]([H:74]):[C:8]([C:9](=[O:10])[O:11][H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]:1[O:15][H:78])([H:79])[H:80])[H:81])([H:82])([H:83])[H:84]>>[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])=[C:4]([C:5]([C:6]1:[C:7]([H:74]):[C:8]([C:9](=[O:10])[N:26]([C:25]2:[C:23]([O:24][H:65]):[C:22]3:[C:21]([H:64]):[C:20]([H:63]):[C:18]([O:19][H:62]):[C:17]([C:16]([H:68])([H:69])[H:70]):[C:30]:3:[O:29]:[C:27]:2=[O:28])[H:66]):[C:12]([H:76]):[C:13]([H:77]):[C:14]:1[O:15][H:78])([H:79])[H:80])[H:81])([H:82])([H:83])[H:84].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:11][H:75]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E735 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8:197]-[H:374])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:197]-[H:374])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C933 - Reaction Operator C
[H]-[#7:1].[#6:40]-[#8:41]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:41].[#7:1]-[#6:40]
EVODEX.1-N1166 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:55].[#8:39]=[#6:40](-[#8:41]-[H:73])-[#6:42]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:41]-[H:73].[#7:1](-[#6@@:2])(-[#6:40](=[#8:39])-[#6:42])-[H:55]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7527
[H][N:26]([C:25]1:[C:23]([O:24][H:65]):[C:22]2:[C:21]([H:64]):[C:20]([H:63]):[C:18]([O:19][H:62]):[C:17]([C:16]([H:68])([H:69])[H:70]):[C:30]:2:[O:29]:[C:27]:1=[O:28])[H:66].[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])=[C:4]([C:5]([C:6]1:[C:7]([H:74]):[C:8]([C:9](=[O:10])[O:11][H:75]):[C:12]([H:76]):[C:13]([H:77]):[C:14]:1[O:15][H:78])([H:79])[H:80])[H:81])([H:82])([H:83])[H:84].[N:31]([C:32]1:[N:33]:[C:34]([H:85]):[N:35]:[C:36]2:[C:37]:1:[N:38]:[C:39]([H:86]):[N:40]:2[C@:41]1([H:87])[O:42][C@@:43]([C:44]([O:45][P:46](=[O:47])([O:48][H:88])[O:49][P:50](=[O:51])([O:52][H:89])[O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91])([H:92])[H:93])([H:94])[C@:58]([O:59][H:95])([H:96])[C@:60]1([O:61][H:97])[H:98])([H:99])[H:100]>>[C:1]([C:2]([C:3]([H:71])([H:72])[H:73])=[C:4]([C:5]([C:6]1:[C:7]([H:74]):[C:8]([C:9](=[O:10])[N:26]([C:25]2:[C:23]([O:24][H:65]):[C:22]3:[C:21]([H:64]):[C:20]([H:63]):[C:18]([O:19][H:62]):[C:17]([C:16]([H:68])([H:69])[H:70]):[C:30]:3:[O:29]:[C:27]:2=[O:28])[H:66]):[C:12]([H:76]):[C:13]([H:77]):[C:14]:1[O:15][H:78])([H:79])[H:80])[H:81])([H:82])([H:83])[H:84].[O:11]([P:46]([O:45][C:44]([C@@:43]1([H:94])[O:42][C@:41]([N:40]2:[C:36]3:[N:35]:[C:34]([H:85]):[N:33]:[C:32]([N:31]([H:99])[H:100]):[C:37]:3:[N:38]:[C:39]:2[H:86])([H:87])[C@@:60]([O:61][H:97])([H:98])[C@@:58]1([O:59][H:95])[H:96])([H:92])[H:93])(=[O:47])[O:48][H:88])[H:75].[H][O:49][P:50](=[O:51])([O:52][H:89])[O:53][P:54](=[O:55])([O:56][H:90])[O:57][H:91]