SMIRKS
[H]O[C:17]([C:16]([C:15]([N:14]([C:12]([C@@:10]([C:2]([C:1]([H:73])([H:74])[H:75])([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:72])=[O:13])[H:71])([H:69])[H:70])([H:67])[H:68])=[O:18].[H][N:20]([C@@:21]([C:22]([S:23][H:76])([H:77])[H:78])([C:24](=[O:25])[O:26][H:79])[H:80])[H:81].[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:45][P:46](=[O:47])([O:48][H:87])[O:49][P:50](=[O:51])([O:52][H:88])[O:53][H:89]>>[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:20]([C@@:21]([C:22]([S:23][H:76])([H:77])[H:78])([C:24](=[O:25])[O:26][H:79])[H:80])[H:81])([H:67])[H:68])([H:69])[H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][O:45][P:46](=[O:47])([O:48][H:87])[O:49][P:50](=[O:51])([O:52][H:88])[O:53][H:89]
Derived Operators
EVODEX.1-F113 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M24 - Mass Difference
-347.06321999999994
EVODEX.1-E725 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[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])-[#8:182]-[#15:183])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#8:182](-[#15:183])-[H]
EVODEX.1-C1146 - Reaction Operator C
[H]-[#8]-[#6:17].[H]-[#7:20].[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])-[#8:45]>>[#6:17]-[#7:20].[H]-[#8:45]
EVODEX.1-N1421 - Reaction Operator N
[H]-[#8]-[#6:17](-[#6:16])=[#8:18].[H]-[#7:20](-[#6@@:21])-[H:81].[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])-[#8:45]-[#15:46]>>[#6:16]-[#6:17](=[#8:18])-[#7:20](-[#6@@:21])-[H:81].[H]-[#8:45]-[#15:46]
EVODEX.1-Em40 - Reaction Operator Em
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
EVODEX.1-Cm59 - Reaction Operator Cm
[#8]-[#6:46].[H]-[#7:49].[#15]-[#8:81]>>[#6:46]-[#7:49].[H]-[#8:81]
EVODEX.1-Nm45 - Reaction Operator Nm
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
Source Full Reactions
EVODEX.1-R7877
[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:19][H:66])([H:67])[H:68])([H:69])[H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[H][N:20]([C@@:21]([C:22]([S:23][H:76])([H:77])[H:78])([C:24](=[O:25])[O:26][H:79])[H:80])[H:81].[N:27]([C:28]1:[N:29]:[C:30]([H:83]):[N:31]:[C:32]2:[C:33]:1:[N:34]:[C:35]([H:84]):[N:36]:2[C@:37]1([H:85])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:86])[O:45][P:46](=[O:47])([O:48][H:87])[O:49][P:50](=[O:51])([O:52][H:88])[O:53][H:89])([H:90])[H:91])([H:92])[C@:54]([O:55][H:93])([H:94])[C@:56]1([O:57][H:95])[H:96])([H:97])[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])[N:20]([C@@:21]([C:22]([S:23][H:76])([H:77])[H:78])([C:24](=[O:25])[O:26][H:79])[H:80])[H:81])([H:67])[H:68])([H:69])[H:70])[H:71])[H:72])([H:73])([H:74])[H:75].[O:19]([P:42]([O:41][C:40]([C@@:39]1([H:92])[O:38][C@:37]([N:36]2:[C:32]3:[N:31]:[C:30]([H:83]):[N:29]:[C:28]([N:27]([H:97])[H:98]):[C:33]:3:[N:34]:[C:35]:2[H:84])([H:85])[C@@:56]([O:57][H:95])([H:96])[C@@:54]1([O:55][H:93])[H:94])([H:90])[H:91])(=[O:43])[O:44][H:86])[H:66].[H][O:45][P:46](=[O:47])([O:48][H:87])[O:49][P:50](=[O:51])([O:52][H:88])[O:53][H:89]