SMIRKS
[H]OP(=O)(O[H])O[P:31]([O:30][C:29]([C@:28]1([H:51])[O:27][C@@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:43]):[N:18]:[C:17]([N:16]([H:56])[H:57]):[C:22]:3:[N:23]:[C:24]:2[H:44])([H:45])[C@:41]([O:42][H:54])([H:55])[C@:39]1([O:40][H:52])[H:53])([H:49])[H:50])(=[O:32])[O:33][H:46].[H][N:12]([C@@:11]([C:10]([C:9]([C:8]([N:7]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([C:13](=[O:14])[O:15][H:67])[H:68])[H:65]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:12]([C@:11]([C:10]([C:9]([C:8]([N:7]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([C:13](=[O:14])[O:15][H:67])[H:68])[H:65].[H]O[P:31]([O:30][C:29]([C@:28]1([H:51])[O:27][C@@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:43]):[N:18]:[C:17]([N:16]([H:56])[H:57]):[C:22]:3:[N:23]:[C:24]:2[H:44])([H:45])[C@:41]([O:42][H:54])([H:55])[C@:39]1([O:40][H:52])[H:53])([H:49])[H:50])(=[O:32])[O:33][H:46]
Derived Operators
EVODEX.1-F546 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 3 |
| N | 1 |
| H | 4 |
EVODEX.1-M171 - Mass Difference
-8.929179999999999
EVODEX.1-E1366 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:49])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:43]-[#6@@:42](-[#6@@:27])(-[H:68])-[#6@:44](-[#6@:25])(-[#8:45])-[H:70])>>[#7:5](-[#6@:4])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:49].([#8]-[H].[#8:45]-[#6@:44](-[#6@:25])(-[H:70])-[#6@@:42](-[#6@@:27])(-[#8:43])-[H:68])
EVODEX.1-C1147 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[H]-[#7:12]-[#6@@:11]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:12]-[#6@:11].[H]-[#8]
EVODEX.1-N1422 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8].[H]-[#7:12](-[#6@@:11](-[#6:10])(-[#6:13])-[H:68])-[H:65]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:12](-[#6@:11](-[#6:10])(-[#6:13])-[H:68])-[H:65].[H]-[#8]
Source Full Reactions
EVODEX.1-R7580
[N:16]([C:17]1:[N:18]:[C:19]([H:43]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:44]):[N:25]:2[C@@:26]1([H:45])[O:27][C@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:46])[O:34][P:35](=[O:36])([O:37][H:47])[O:38][H:48])([H:49])[H:50])([H:51])[C@@:39]([O:40][H:52])([H:53])[C@@:41]1([O:42][H:54])[H:55])([H:56])[H:57].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64].[H][N:12]([C@@:11]([C:10]([C:9]([C:8]([N:7]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([C:13](=[O:14])[O:15][H:67])[H:68])[H:65]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:12]([C@:11]([C:10]([C:9]([C:8]([N:7]([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([C:13](=[O:14])[O:15][H:67])[H:68])[H:65])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64].[H][O:34][P:35](=[O:36])([O:37][H:47])[O:38][H:48].[O:6]([P:31]([O:30][C:29]([C@:28]1([H:51])[O:27][C@@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:43]):[N:18]:[C:17]([N:16]([H:56])[H:57]):[C:22]:3:[N:23]:[C:24]:2[H:44])([H:45])[C@:41]([O:42][H:54])([H:55])[C@:39]1([O:40][H:52])[H:53])([H:49])[H:50])(=[O:32])[O:33][H:46])[H:58]