SMIRKS
[H][N:1]([C:2]1:[N:3]:[C:4]([H:32]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:33]):[N:10]:2[C@:11]1([H:34])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:35])[O:19][H:36])([H:37])[H:38])([H:39])[C@:20]([O:21][H:40])([H:41])[C@:22]1([O:23][H:42])[H:43])[H:44]>>[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([C:2]1:[N:3]:[C:4]([H:32]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:33]):[N:10]:2[C@:11]1([H:34])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:35])[O:19][H:36])([H:37])[H:38])([H:39])[C@:20]([O:21][H:40])([H:41])[C@:22]1([O:23][H:42])[H:43])[H:44]
Derived Operators
EVODEX.1-F272 - Elemental Balance
| O | 4 |
| C | 4 |
| H | 4 |
EVODEX.1-M551 - Mass Difference
116.01092
EVODEX.1-E819 - Reaction Operator E
[#7:1](-[#6:2])(-[H:46])-[H]>>[#7:1](-[#6:2])(-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H])-[H:46]
EVODEX.1-C749 - Reaction Operator C
[H]-[#7:1]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1]
EVODEX.1-N956 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:46]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[#6:2])-[H:46]
Source Full Reactions
EVODEX.1-R7093
[H][N:1]([C:2]1:[N:3]:[C:4]([H:32]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:33]):[N:10]:2[C@:11]1([H:34])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:35])[O:19][H:36])([H:37])[H:38])([H:39])[C@:20]([O:21][H:40])([H:41])[C@:22]1([O:23][H:42])[H:43])[H:44].[O:24]=[C:25]([O:26][H:46])[C:27](=[C:28]([C:29](=[O:30])[O:31][H:47])[H:48])[H:49]>>[H][C:28]([C@:27]([N:1]([C:2]1:[N:3]:[C:4]([H:32]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:33]):[N:10]:2[C@:11]1([H:34])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:35])[O:19][H:36])([H:37])[H:38])([H:39])[C@:20]([O:21][H:40])([H:41])[C@:22]1([O:23][H:42])[H:43])[H:44])([C:25](=[O:24])[O:26][H:46])[H:49])([C:29](=[O:30])[O:31][H:47])[H:48]