SMIRKS
[H][N:3]([C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48])[H:45].[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:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:3]([C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48])[H:45].[H][O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58]
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-R7550
[H][N:3]([C:2]([C:1]([H:49])([H:50])[H:51])([H:47])[H:48])[H:45].[N:14]([C:15]1:[N:16]:[C:17]([H:52]):[N:18]:[C:19]2:[C:20]:1:[N:21]:[C:22]([H:53]):[N:23]:2[C@:24]1([H:54])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:55])[O:32][P:33](=[O:34])([O:35][H:56])[O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58])([H:59])[H:60])([H:61])[C@:41]([O:42][H:62])([H:63])[C@:43]1([O:44][H:64])[H:65])([H:66])[H:67].[N:4]([C@@:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:68])([H:69])[H:70])([H:71])[H:72])([C:11](=[O:12])[O:13][H:73])[H:74])([H:75])[H:76]>>[C:1]([C:2]([N:3]([C:8]([C:7]([C:6]([C@:5]([N:4]([H:75])[H:76])([C:11](=[O:12])[O:13][H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:9])[H:45])([H:47])[H:48])([H:49])([H:50])[H:51].[O:10]([P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:61])[O:25][C@:24]([N:23]2:[C:19]3:[N:18]:[C:17]([H:52]):[N:16]:[C:15]([N:14]([H:66])[H:67]):[C:20]:3:[N:21]:[C:22]:2[H:53])([H:54])[C@@:43]([O:44][H:64])([H:65])[C@@:41]1([O:42][H:62])[H:63])([H:59])[H:60])(=[O:30])[O:31][H:55])(=[O:34])[O:35][H:56])[H:68].[H][O:36][P:37](=[O:38])([O:39][H:57])[O:40][H:58]