SMIRKS
[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])([C:4]([O:5][P:6](=[O:7])([O:8][H:61])[O:9][H:62])([H:63])[H:64])[C@@:10]([O:11][H:65])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([S:22][H:66])([H:67])[H:68])([C:23](=[O:24])[O:25][H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][O:55][P:54](=[O:53])([O:56][H:97])[O:57][H:98]>>[H]O[C:17]([C:16]([C:15]([N:14]([C:12]([C@@:10]([C:2]([C:1]([H:78])([H:79])[H:80])([C:3]([H:58])([H:59])[H:60])[C:4]([O:5][P:6](=[O:7])([O:8][H:61])[O:9][H:62])([H:63])[H:64])([O:11][H:65])[H:77])=[O:13])[H:76])([H:74])[H:75])([H:72])[H:73])=[O:18].[H][N:19]([C@@:20]([C:21]([S:22][H:66])([H:67])[H:68])([C:23](=[O:24])[O:25][H:69])[H:70])[H:71].[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])OP(=O)(O[H])[O:55][P:54](=[O:53])([O:56][H:97])[O:57][H:98]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1184 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78].[#15:47]-[#8:48]-[H]>>[#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]-[#15](=[#8])(-[#8]-[H])-[#8:48]-[#15:47])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-C1034 - Reaction Operator C
[#6:3]-[#7:5].[H]-[#8:48]>>[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]-[#15](=[#8])(-[#8]-[H])-[#8:48].[H]-[#8]-[#6:3].[H]-[#7:5]
EVODEX.1-N1288 - Reaction Operator N
[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:76].[H]-[#8:48]-[#15:47]>>[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]-[#15](=[#8])(-[#8]-[H])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5](-[#6@:6])-[H:76]
EVODEX.1-Em800 - Reaction Operator Em
[#6:2]-[#6:3](=[#8:4])-[#7:5]-[#6:6].[H]-[#8:48]-[#15:47]>>[#8]-[#15](=[#8])(-[#8])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5]-[#6:6]
EVODEX.1-Cm319 - Reaction Operator Cm
[#6:3]-[#7:5].[H]-[#8:48]>>[#15]-[#8:48].[#8]-[#6:3].[H]-[#7:5]
EVODEX.1-Nm716 - Reaction Operator Nm
[#6:2]-[#6:3](=[#8:4])-[#7:5]-[#6:6].[H]-[#8:48]-[#15:47]>>[#8]-[#15](=[#8])(-[#8])-[#8:48]-[#15:47].[H]-[#8]-[#6:3](-[#6:2])=[#8:4].[H]-[#7:5]-[#6:6]
Source Full Reactions
EVODEX.1-R7875
[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])([C:4]([O:5][P:6](=[O:7])([O:8][H:61])[O:9][H:62])([H:63])[H:64])[C@@:10]([O:11][H:65])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([S:22][H:66])([H:67])[H:68])([C:23](=[O:24])[O:25][H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[N:26]([C:27]1:[N:28]:[C:29]([H:81]):[N:30]:[C:31]2:[C:32]:1:[N:33]:[C:34]([H:82]):[N:35]:2[C@:36]1([H:83])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:84])[O:44][P:45](=[O:46])([O:47][H:85])[O:48][H:86])([H:87])[H:88])([H:89])[C@:49]([O:50][H:90])([H:91])[C@:51]1([O:52][H:92])[H:93])([H:94])[H:95].[H][O:55][P:54](=[O:53])([O:56][H:97])[O:57][H:98]>>[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])([C:4]([O:5][P:6](=[O:7])([O:8][H:61])[O:9][H:62])([H:63])[H:64])[C@@:10]([O:11][H:65])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:47][H:85])([H:72])[H:73])([H:74])[H:75])[H:76])[H:77])([H:78])([H:79])[H:80].[H][N:19]([C@@:20]([C:21]([S:22][H:66])([H:67])[H:68])([C:23](=[O:24])[O:25][H:69])[H:70])[H:71].[N:26]([C:27]1:[N:28]:[C:29]([H:81]):[N:30]:[C:31]2:[C:32]:1:[N:33]:[C:34]([H:82]):[N:35]:2[C@:36]1([H:83])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:84])[O:44][P:45](=[O:46])([O:48][H:86])[O:55][P:54](=[O:53])([O:56][H:97])[O:57][H:98])([H:87])[H:88])([H:89])[C@:49]([O:50][H:90])([H:91])[C@:51]1([O:52][H:92])[H:93])([H:94])[H:95]