SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:40]):[N:8]:2[C:9]([O:10][C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:41])[O:17][P:18](=[O:19])([O:20][H:42])[O:21][P:22](=[O:23])([O:24][H:43])[O:25][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50]):[C:26](=[O:27]):[N:28]:1[H:51])([H:52])[H:53]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C:11]([O:10][C:9]([N:8]1:[C:4]2:[N:3]:[C:2]([N:1]([H:52])[H:53]):[N:28]([H:51]):[C:26](=[O:27]):[C:5]:2:[N:6]:[C:7]:1[H:40])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:15])[O:16][H:41])(=[O:19])[O:20][H:42].[H]O[C@@]([H])(C(=O)O[P:22](=[O:23])([O:24][H:43])[O:25][H:44])C([H])([H])OP(=O)(O[H])O[H]
Derived Operators
EVODEX.1-F237 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 3 |
| H | 7 |
EVODEX.1-M295 - Mass Difference
185.99291
EVODEX.1-E960 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C1097 - Reaction Operator C
[#8:21]-[#15:22]>>[H]-[#8:21].[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:22])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N1345 - Reaction Operator N
[#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]>>[H]-[#8:21]-[#15:18].[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4186
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:40]):[N:8]:2[C:9]([O:10][C:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:41])[O:17][P:18](=[O:19])([O:20][H:42])[O:21][P:22](=[O:23])([O:24][H:43])[O:25][H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50]):[C:26](=[O:27]):[N:28]:1[H:51])([H:52])[H:53].[H][O:31][C:30](=[O:29])[C@:32]([O:33][H:55])([C:34]([O:35][P:36](=[O:37])([O:38][H:56])[O:39][H:57])([H:58])[H:59])[H:60]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C:11]([O:10][C:9]([N:8]1:[C:4]2:[N:3]:[C:2]([N:1]([H:52])[H:53]):[N:28]([H:51]):[C:26](=[O:27]):[C:5]:2:[N:6]:[C:7]:1[H:40])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])(=[O:15])[O:16][H:41])(=[O:19])[O:20][H:42].[P:22](=[O:23])([O:24][H:43])([O:25][H:44])[O:31][C:30](=[O:29])[C@:32]([O:33][H:55])([C:34]([O:35][P:36](=[O:37])([O:38][H:56])[O:39][H:57])([H:58])[H:59])[H:60]