SMIRKS
[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:61]):[C:6]([H:62]):[C:7]([O:8][H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[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:43][P:44](=[O:45])([O:46][H:77])[O:47][H:78]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:61]):[C:6]([H:62]):[C:7]([O:8][H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[H][O:43][P:44](=[O:45])([O:46][H:77])[O:47][H:78]
Derived Operators
EVODEX.1-F457 - Elemental Balance
| P | -2 |
| O | -6 |
| C | -5 |
| N | -4 |
| H | -6 |
EVODEX.1-M162 - Mass Difference
-279.97638
EVODEX.1-E1266 - Reaction Operator E
[#7:1](-[#6:2])(-[H:70])-[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])-[#8:43]-[#15:44])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:70].[#8:43](-[#15:44])-[H]
EVODEX.1-C792 - Reaction Operator C
[H]-[#7:1].[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])-[#8:43]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1].[H]-[#8:43]
EVODEX.1-N1003 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:70].[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])-[#8:43]-[#15:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:1](-[#6:2])-[H:70].[H]-[#8:43]-[#15:44]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7930
[N:11]([C@@:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:52])([H:53])[H:54])([H:55])[H:56])([C:18](=[O:19])[O:20][H:57])[H:58])([H:59])[H:60].[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:61]):[C:6]([H:62]):[C:7]([O:8][H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])[H:69])[H:70].[N:21]([C:22]1:[N:23]:[C:24]([H:72]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:73]):[N:30]:2[C@:31]1([H:74])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:75])[O:39][P:40](=[O:41])([O:42][H:76])[O:43][P:44](=[O:45])([O:46][H:77])[O:47][H:78])([H:79])[H:80])([H:81])[C@:48]([O:49][H:82])([H:83])[C@:50]1([O:51][H:84])[H:85])([H:86])[H:87]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:61]):[C:6]([H:62]):[C:7]([O:8][H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])([H:68])[H:69])([C:15]([C:14]([C:13]([C@:12]([N:11]([H:59])[H:60])([C:18](=[O:19])[O:20][H:57])[H:58])([H:55])[H:56])([H:53])[H:54])=[O:16])[H:70].[O:17]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:81])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:72]):[N:23]:[C:22]([N:21]([H:86])[H:87]):[C:27]:3:[N:28]:[C:29]:2[H:73])([H:74])[C@@:50]([O:51][H:84])([H:85])[C@@:48]1([O:49][H:82])[H:83])([H:79])[H:80])(=[O:37])[O:38][H:75])(=[O:41])[O:42][H:76])[H:52].[H][O:43][P:44](=[O:45])([O:46][H:77])[O:47][H:78]