SMIRKS
[H][O:9][P:6]([O:5][C@:4]1([H:51])[O:3][C@:2]([C:1]([H:58])([H:59])[H:60])([H:48])[C@:14]([O:15][H:56])([H:57])[C@:12]([O:13][H:54])([H:55])[C@@:10]1([O:11][H:52])[H:53])(=[O:7])[O:8][H:49]>>[H]N=C1:N([H]):C(=O):C2:N:C([H]):N([C@]3([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])[O:9][P:6]([O:5][C@:4]4([H:51])[O:3][C@:2]([C:1]([H:58])([H:59])[H:60])([H:48])[C@:14]([O:15][H:56])([H:57])[C@:12]([O:13][H:54])([H:55])[C@@:10]4([O:11][H:52])[H:53])(=[O:7])[O:8][H:49])[C@@]([H])(O[H])[C@@]3([H])O[H]):C:2:N:1[H]
Derived Operators
EVODEX.1-F460 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M441 - Mass Difference
345.0475599999999
EVODEX.1-E1271 - Reaction Operator E
[#15:34]-[#8:35]-[H]>>[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]-[#15:34])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H]
EVODEX.1-C477 - Reaction Operator C
[H]-[#8:35]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]
EVODEX.1-N582 - Reaction Operator N
[H]-[#8:35]-[#15:34]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:35]-[#15:34]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4387
[H][O:9][P:6]([O:5][C@:4]1([H:51])[O:3][C@:2]([C:1]([H:58])([H:59])[H:60])([H:48])[C@:14]([O:15][H:56])([H:57])[C@:12]([O:13][H:54])([H:55])[C@@:10]1([O:11][H:52])[H:53])(=[O:7])[O:8][H:49].[N:16](=[C:17]1:[N:18]([H:61]):[C:19](=[O:20]):[C:21]2:[N:22]:[C:23]([H:62]):[N:24]([C@:25]3([H:63])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:64])[O:33][P:34](=[O:35])([O:36][H:65])[O:37][P:38](=[O:39])([O:40][H:66])[O:41][H:67])([H:68])[H:69])([H:70])[C@:42]([O:43][H:71])([H:72])[C@:44]3([O:45][H:73])[H:74]):[C:46]:2:[N:47]:1[H:75])[H:76]>>[C:1]([C@:2]1([H:48])[O:3][C@:4]([O:5][P:6](=[O:7])([O:8][H:49])[O:9][P:30]([O:29][C:28]([C@@:27]2([H:70])[O:26][C@:25]([N:24]3:[C:23]([H:62]):[N:22]:[C:21]4:[C:19](=[O:20]):[N:18]([H:61]):[C:17](=[N:16][H:76]):[N:47]([H:75]):[C:46]:4:3)([H:63])[C@@:44]([O:45][H:73])([H:74])[C@@:42]2([O:43][H:71])[H:72])([H:68])[H:69])(=[O:31])[O:32][H:64])([H:51])[C@:10]([O:11][H:52])([H:53])[C@@:12]([O:13][H:54])([H:55])[C@@:14]1([O:15][H:56])[H:57])([H:58])([H:59])[H:60].[H][O:33][P:34](=[O:35])([O:36][H:65])[O:37][P:38](=[O:39])([O:40][H:66])[O:41][H:67]