SMIRKS
[N:1](=[C:2]([N:3]([C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:64])[O:10][C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[N:17]([P:18](=[O:19])([O:20][H:76])[O:21][H:77])[H:78])[H:79]>>[H][N:17]([C:2](=[N:1][H:79])[N:3]([C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:64])[O:10][C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:78].[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[P:18](=[O:19])([O:20][H:76])[O:21][H:77]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1183 - Reaction Operator E
[#6:10]-[#7:12](-[#15:13](=[#8:14])(-[#8:15])-[#8:16])-[H:48]>>[#6:10]-[#7:12](-[H:48])-[H].[#15:13](=[#8:14])(-[#8:15])(-[#8:16])-[#8]-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H]
EVODEX.1-C885 - Reaction Operator C
[#7:9]-[#15:10]>>[H]-[#7:9].[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]-[#15:10]
EVODEX.1-N1107 - Reaction Operator N
[#6:2]-[#7:9](-[#15:10](=[#8:11])(-[#8:12])-[#8:13])-[H:64]>>[H]-[#7:9](-[#6:2])-[H:64].[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]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
EVODEX.1-Em558 - Reaction Operator Em
[#6:2]-[#7:9]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]>>[H]-[#7:9]-[#6:2].[#15]-[#8]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
EVODEX.1-Nm504 - Reaction Operator Nm
[#6:2]-[#7:9]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]>>[H]-[#7:9]-[#6:2].[#15]-[#8]-[#15:10](=[#8:11])(-[#8:12])-[#8:13]
Source Full Reactions
EVODEX.1-R4202
[H][O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:57])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:49]):[N:24]:[C:23]([N:22]([H:62])[H:63]):[C:28]:3:[N:29]:[C:30]:2[H:50])([H:51])[C@@:47]([O:48][H:60])([H:61])[C@@:45]1([O:46][H:58])[H:59])([H:55])[H:56])(=[O:38])[O:39][H:52])(=[O:42])[O:44][H:54].[N:1](=[C:2]([N:3]([C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:64])[O:10][C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[N:17]([P:18](=[O:19])([O:20][H:76])[O:21][H:77])[H:78])[H:79]>>[H][N:17]([C:2](=[N:1][H:79])[N:3]([C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:64])[O:10][C:11]([C@:12]([N:13]([H:65])[H:66])([C:14](=[O:15])[O:16][H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:78].[P:18](=[O:19])([O:20][H:76])([O:21][H:77])[O:43][P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:57])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:49]):[N:24]:[C:23]([N:22]([H:62])[H:63]):[C:28]:3:[N:29]:[C:30]:2[H:50])([H:51])[C@@:47]([O:48][H:60])([H:61])[C@@:45]1([O:46][H:58])[H:59])([H:55])[H:56])(=[O:38])[O:39][H:52])(=[O:42])[O:44][H:54]