SMIRKS
[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][H:63])([H:64])[H:65])[C@@:10]([O:11][H:66])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([H:67])([H:68])[H:69])([C:22]([S:23][H:70])([H:71])[H:72])[C:24](=[O:25])[O:26][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[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:48][H:88]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][H:63])([H:64])[H:65])[C@@:10]([O:11][H:66])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:48][H:88])([H:75])[H:76])([H:77])[H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][N:19]([C@@:20]([C:21]([H:67])([H:68])[H:69])([C:22]([S:23][H:70])([H:71])[H:72])[C:24](=[O:25])[O:26][H:73])[H:74]
Derived Operators
EVODEX.1-F110 - Elemental Balance
| P | -2 |
| O | -9 |
| C | -10 |
| N | -5 |
| H | -13 |
EVODEX.1-M63 - Mass Difference
-409.01899
EVODEX.1-E695 - Reaction Operator E
[#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])(-[#8:40]-[H:55])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78]>>[#6:2]-[#6:3](=[#8:4])-[#8:40]-[H:55].[#7:5](-[#6@:6])(-[H:78])-[H]
EVODEX.1-C799 - Reaction Operator C
[#6:17]-[#7:19].[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]>>[#6:17]-[#8:48].[H]-[#7:19]
EVODEX.1-N1010 - Reaction Operator N
[#6:16]-[#6:17](=[#8:18])-[#7:19](-[#6@@:20])-[H:74].[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:88]>>[#6:16]-[#6:17](=[#8:18])-[#8:48]-[H:88].[H]-[#7:19](-[#6@@:20])-[H:74]
EVODEX.1-Em799 - Reaction Operator Em
[#6:16]-[#6:17](=[#8:18])-[#7:19]-[#6:20].[#8]-[#15](=[#8])(-[#8])-[#8:48]>>[#6:16]-[#6:17](=[#8:18])-[#8:48].[H]-[#7:19]-[#6:20]
EVODEX.1-Nm715 - Reaction Operator Nm
[#6:16]-[#6:17](=[#8:18])-[#7:19]-[#6:20].[#8]-[#15](=[#8])(-[#8])-[#8:48]>>[#6:16]-[#6:17](=[#8:18])-[#8:48].[H]-[#7:19]-[#6:20]
Source Full Reactions
EVODEX.1-R7876
[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][H:63])([H:64])[H:65])[C@@:10]([O:11][H:66])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([H:67])([H:68])[H:69])([C:22]([S:23][H:70])([H:71])[H:72])[C:24](=[O:25])[O:26][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[N:27]([C:28]1:[N:29]:[C:30]([H:84]):[N:31]:[C:32]2:[C:33]:1:[N:34]:[C:35]([H:85]):[N:36]:2[C@:37]1([H:86])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:87])[O:45][P:46](=[O:47])([O:48][H:88])[O:49][H:89])([H:90])[H:91])([H:92])[C@:50]([O:51][H:93])([H:94])[C@:52]1([O:53][H:95])[H:96])([H:97])[H:98].[H][O:56][P:55](=[O:54])([O:57][H:100])[O:58][H:101]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([O:5][P:6](=[O:7])([O:8][H:62])[O:9][H:63])([H:64])[H:65])[C@@:10]([O:11][H:66])([C:12](=[O:13])[N:14]([C:15]([C:16]([C:17](=[O:18])[O:48][H:88])([H:75])[H:76])([H:77])[H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][N:19]([C@@:20]([C:21]([H:67])([H:68])[H:69])([C:22]([S:23][H:70])([H:71])[H:72])[C:24](=[O:25])[O:26][H:73])[H:74].[N:27]([C:28]1:[N:29]:[C:30]([H:84]):[N:31]:[C:32]2:[C:33]:1:[N:34]:[C:35]([H:85]):[N:36]:2[C@:37]1([H:86])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:87])[O:45][P:46](=[O:47])([O:49][H:89])[O:56][P:55](=[O:54])([O:57][H:100])[O:58][H:101])([H:90])[H:91])([H:92])[C@:50]([O:51][H:93])([H:94])[C@:52]1([O:53][H:95])[H:96])([H:97])[H:98]