SMIRKS
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:66])[O:7][C@:6]([N:5]2:[C:4]([H:58]):[C:3]([H:57]):[C:2]([N:1]([H:71])[H:72]):[N:29]:[C:27]:2=[O:28])([H:59])[C@@:25]([O:26][H:69])([H:70])[C@@:23]1([O:24][H:67])[H:68])([H:64])[H:65])(=[O:12])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])OP(=O)(O[H])O[P:49](=[O:50])([O:51][H:77])[O:52][H:78])O[C@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:49](=[O:50])([O:51][H:77])[O:52][H:78])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63])([H:64])[H:65])([H:66])[C@:23]([O:24][H:67])([H:68])[C@:25]2([O:26][H:69])[H:70]):[C:27](=[O:28]):[N:29]:1)([H:71])[H:72]
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-E723 - 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]-[#15:48](=[#8:49])(-[#8:50])-[#8:51])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15:48](=[#8:49])(-[#8:50])-[#8:51]
EVODEX.1-C472 - Reaction Operator C
[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]-[#15:48].([H]-[#8:17].[#6@@:25]-[#6@@:19])>>([#8:17]-[#15:48].[#6@:19]-[#6@:25])
EVODEX.1-N1232 - Reaction Operator N
[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]-[#15:48](=[#8:49])(-[#8:50])-[#8:51].([H]-[#8:17]-[#15:15].[#8:26]-[#6@:25](-[#6@:10])(-[H:83])-[#6@@:19](-[#6@@:12])(-[#8:20])-[H:81])>>([#15:15]-[#8:17]-[#15:48](=[#8:49])(-[#8:50])-[#8:51].[#8:20]-[#6@@:19](-[#6@@:12])(-[H:81])-[#6@:25](-[#6@:10])(-[#8:26])-[H:83])
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4280
[H][O:13][P:11]([O:10][C:9]([C@@:8]1([H:66])[O:7][C@:6]([N:5]2:[C:4]([H:58]):[C:3]([H:57]):[C:2]([N:1]([H:71])[H:72]):[N:29]:[C:27]:2=[O:28])([H:59])[C@@:25]([O:26][H:69])([H:70])[C@@:23]1([O:24][H:67])[H:68])([H:64])[H:65])(=[O:12])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63].[N:30]([C:31]1:[N:32]:[C:33]([H:73]):[N:34]:[C:35]2:[C:36]:1:[N:37]:[C:38]([H:74]):[N:39]:2[C@@:40]1([H:75])[O:41][C@:42]([C:43]([O:44][P:45](=[O:46])([O:47][H:76])[O:48][P:49](=[O:50])([O:51][H:77])[O:52][H:78])([H:79])[H:80])([H:81])[C@@:53]([O:54][H:82])([H:83])[C@@:55]1([O:56][H:84])[H:85])([H:86])[H:87]>>[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][P:49](=[O:50])([O:51][H:77])[O:52][H:78])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63])([H:64])[H:65])([H:66])[C@:23]([O:24][H:67])([H:68])[C@:25]2([O:26][H:69])[H:70]):[C:27](=[O:28]):[N:29]:1)([H:71])[H:72].[H][O:48][P:45]([O:44][C:43]([C@@:42]1([H:81])[O:41][C@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:73]):[N:32]:[C:31]([N:30]([H:86])[H:87]):[C:36]:3:[N:37]:[C:38]:2[H:74])([H:75])[C@@:55]([O:56][H:84])([H:85])[C@@:53]1([O:54][H:82])[H:83])([H:79])[H:80])(=[O:46])[O:47][H:76]