SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])[H:55].[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:62])[O:47][H:63]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])[H:55])N([H])[H]):C([H]):N:2[H].[H][O:43][P:44](=[O:45])([O:46][H:62])[O:47][H:63]
Derived Operators
EVODEX.1-F579 - Elemental Balance
| P | -2 |
| O | -8 |
| C | 1 |
| N | -3 |
| H | -3 |
EVODEX.1-M546 - Mass Difference
-222.93959
EVODEX.1-E1403 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:59])-[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])-[#8:45]-[#15:46])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59].[#8:45](-[#15:46])-[H]
EVODEX.1-C851 - Reaction Operator C
[H]-[#7:5].[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])-[#8:46]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]
EVODEX.1-N1062 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:58].[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])-[#8:46]-[#15:47]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:58])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]-[#15:47]
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-R7807
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])[H:55].[N:21]([C:22]1:[N:23]:[C:24]([H:57]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:58]):[N:30]:2[C@:31]1([H:59])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:60])[O:39][P:40](=[O:41])([O:42][H:61])[O:43][P:44](=[O:45])([O:46][H:62])[O:47][H:63])([H:64])[H:65])([H:66])[C@:48]([O:49][H:67])([H:68])[C@:50]1([O:51][H:69])[H:70])([H:71])[H:72].[N:6]([C@@:7]([C:8]([C:9]1:[C:10]([H:73]):[N:11]([H:74]):[C:12]2:[C:13]([H:75]):[C:14]([H:76]):[C:15]([H:77]):[C:16]([H:78]):[C:17]:1:2)([H:79])[H:80])([C:18](=[O:19])[O:20][H:81])[H:82])([H:83])[H:84]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])([C:18]([C@@:7]([N:6]([H:83])[H:84])([C:8]([C:9]1:[C:10]([H:73]):[N:11]([H:74]):[C:12]2:[C:13]([H:75]):[C:14]([H:76]):[C:15]([H:77]):[C:16]([H:78]):[C:17]:1:2)([H:79])[H:80])[H:82])=[O:19])[H:55].[O:20]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:66])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:57]):[N:23]:[C:22]([N:21]([H:71])[H:72]):[C:27]:3:[N:28]:[C:29]:2[H:58])([H:59])[C@@:50]([O:51][H:69])([H:70])[C@@:48]1([O:49][H:67])[H:68])([H:64])[H:65])(=[O:37])[O:38][H:60])(=[O:41])[O:42][H:61])[H:81].[H][O:43][P:44](=[O:45])([O:46][H:62])[O:47][H:63]