SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[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:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[H][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]
Derived Operators
EVODEX.1-F568 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -5 |
| N | -4 |
| H | -6 |
EVODEX.1-M536 - Mass Difference
-311.96618
EVODEX.1-E1391 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[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])-[#8:31]-[#15:32])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8:31](-[#15:32])-[H]
EVODEX.1-C847 - 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])-[#8:30]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:1].[H]-[#8:30]
EVODEX.1-N1058 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:52].[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])-[#8:30]-[#15:31]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:52].[H]-[#8:30]-[#15:31]
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-R7793
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])[H:48].[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[O:37]=[C:38]([O:39][H:66])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74]>>[N:6]([C:7]1:[N:8]:[C:9]([H:50]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:51]):[N:15]:2[C@:16]1([H:52])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:53])[O:24][P:25](=[O:26])([O:27][H:54])[O:39][H:66])([H:57])[H:58])([H:59])[C@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63])([H:64])[H:65].[N:1]([C:2]([C:3](=[O:4])[O:5][H:45])([H:46])[H:47])([C:38](=[O:37])[C@:40]1([H:67])[C:41]([H:68])([H:69])[C:42]([H:70])([H:71])[C:43]([H:72])([H:73])[N:44]1[H:74])[H:48].[H][O:28][P:29](=[O:30])([O:31][H:55])[O:32][H:56]