SMIRKS
[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])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62].[H][N:1]([C:2]([C:3]([C:4]1:[N:5]:[C:6]([H:72]):[N:7]:[N:8]:1[H:73])([H:74])[H:75])([C:9](=[O:10])[O:11][H:76])[H:77])[H:78]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:1]([C:2]([C:3]([C:4]1:[N:5]:[C:6]([H:72]):[N:7]:[N:8]:1[H:73])([H:74])[H:75])([C:9](=[O:10])[O:11][H:76])[H:77])[H:78].[H][O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62]
Derived Operators
EVODEX.1-F450 - Elemental Balance
| P | -1 |
| O | -5 |
| C | -7 |
| N | -4 |
| H | -7 |
EVODEX.1-M433 - Mass Difference
-258.01550999999995
EVODEX.1-E1259 - 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])-[#8:37]-[#15:38])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:9](-[#6@:8])(-[H:75])-[H]>>[#7:9](-[#6@:8])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:75].[#8:37](-[#15:38])-[H]
EVODEX.1-C1027 - 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])-[#8:37].[H]-[#7:9]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9].[H]-[#8:37]
EVODEX.1-N1281 - 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])-[#8:37]-[#15:38].[H]-[#7:9](-[#6@@:8])-[H:75]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9](-[#6@@:8])-[H:75].[H]-[#8:37]-[#15:38]
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-R7576
[N:12]([C:13]([C:14]([C:15](=[O:16])[O:17][H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55].[N:18]([C:19]1:[N:20]:[C:21]([H:56]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:57]):[N:27]:2[C@:28]1([H:58])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:59])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62])([H:63])[H:64])([H:65])[C@:45]([O:46][H:66])([H:67])[C@:47]1([O:48][H:68])[H:69])([H:70])[H:71].[H][N:1]([C:2]([C:3]([C:4]1:[N:5]:[C:6]([H:72]):[N:7]:[N:8]:1[H:73])([H:74])[H:75])([C:9](=[O:10])[O:11][H:76])[H:77])[H:78]>>[N:1]([C:2]([C:3]([C:4]1:[N:5]:[C:6]([H:72]):[N:7]:[N:8]:1[H:73])([H:74])[H:75])([C:9](=[O:10])[O:11][H:76])[H:77])([C:15]([C:14]([C:13]([N:12]([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])=[O:16])[H:78].[O:17]([P:33]([O:32][C:31]([C@@:30]1([H:65])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:56]):[N:20]:[C:19]([N:18]([H:70])[H:71]):[C:24]:3:[N:25]:[C:26]:2[H:57])([H:58])[C@@:47]([O:48][H:68])([H:69])[C@@:45]1([O:46][H:66])[H:67])([H:63])[H:64])(=[O:34])[O:35][H:59])[H:49].[H][O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62]