SMIRKS
[H][O:35][P:34](=[O:33])([O:36][H:63])[O:37][C@@:38]1([H:64])[O:39][C:40]([H:65])([H:66])[C@:41]([O:42][H:67])([H:68])[C:43]([H:69])([H:70])[C@@:44]1([O:45][H:71])[H:72]>>[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:35][P:34](=[O:33])([O:36][H:63])[O:37][C@@:38]4([H:64])[O:39][C:40]([H:65])([H:66])[C@:41]([O:42][H:67])([H:68])[C:43]([H:69])([H:70])[C@@:44]4([O:45][H:71])[H:72])[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-R4376
[N:1](=[C:2]1:[N:3]([H:46]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:47]):[N:9]([C@:10]3([H:48])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:49])[O:18][P:19](=[O:20])([O:21][H:50])[O:22][P:23](=[O:24])([O:25][H:51])[O:26][H:52])([H:53])[H:54])([H:55])[C@:27]([O:28][H:56])([H:57])[C@:29]3([O:30][H:58])[H:59]):[C:31]:2:[N:32]:1[H:60])[H:61].[H][O:35][P:34](=[O:33])([O:36][H:63])[O:37][C@@:38]1([H:64])[O:39][C:40]([H:65])([H:66])[C@:41]([O:42][H:67])([H:68])[C:43]([H:69])([H:70])[C@@:44]1([O:45][H:71])[H:72]>>[N:1](=[C:2]1:[N:3]([H:46]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:47]):[N:9]([C@:10]3([H:48])[O:11][C@@:12]([C:13]([O:14][P:15](=[O:16])([O:17][H:49])[O:35][P:34](=[O:33])([O:36][H:63])[O:37][C@@:38]4([H:64])[O:39][C:40]([H:65])([H:66])[C@:41]([O:42][H:67])([H:68])[C:43]([H:69])([H:70])[C@@:44]4([O:45][H:71])[H:72])([H:53])[H:54])([H:55])[C@:27]([O:28][H:56])([H:57])[C@:29]3([O:30][H:58])[H:59]):[C:31]:2:[N:32]:1[H:60])[H:61].[H][O:18][P:19](=[O:20])([O:21][H:50])[O:22][P:23](=[O:24])([O:25][H:51])[O:26][H:52]