SMIRKS
[C:1]([C@@:2]1([H:46])[O:3][C@@:4]([O:5][P:6](=[O:7])([O:8][H:47])[O:9][P:10](=[O:11])([O:12][H:48])[O:13][C:14]([C@@:15]2([H:49])[O:16][C@:17]([N:18]3:[C:19]([H:50]):[C:20]([H:51]):[C:21](=[N:22][H:52]):[N:23]([H:53]):[C:24]:3=[O:25])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@@:28]2([O:29][H:57])[H:58])([H:59])[H:60])([H:61])[C@@:30]([O:31][H:62])([H:63])[C:32](=[O:33])[C@@:34]1([O:35][H:64])[H:65])([H:66])([H:67])[H:68]>>[H]N([H])[C@:32]1([H])[C@:30]([O:31][H:62])([H:63])[C@:4]([O:5][P:6](=[O:7])([O:8][H:47])[O:9][P:10](=[O:11])([O:12][H:48])[O:13][C:14]([C@@:15]2([H:49])[O:16][C@:17]([N:18]3:[C:19]([H:50]):[C:20]([H:51]):[C:21](=[N:22][H:52]):[N:23]([H:53]):[C:24]:3=[O:25])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@@:28]2([O:29][H:57])[H:58])([H:59])[H:60])([H:61])[O:3][C@@:2]([C:1]([H:66])([H:67])[H:68])([H:46])[C@:34]1([O:35][H:64])[H:65].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:33]
Derived Operators
EVODEX.1-F179 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M35 - Mass Difference
147.05317
EVODEX.1-E868 - Reaction Operator E
[#6:6](-[#6@:5])(=[#8:7])-[#6@@:8]>>[#7](-[#6@@:6](-[#6@:5])(-[H])-[#6@@:8])(-[H])-[H].[#8:7]=[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C1292 - Reaction Operator C
[#6:32](-[#6@@:30]-[#6@@:4])(=[#8:33])-[#6@@:34]>>[H]-[#7](-[H])-[#6@:32](-[H])(-[#6@:30]-[#6@:4])-[#6@:34].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:33]
EVODEX.1-N1608 - Reaction Operator N
[#8:3]1-[#6@@:2]-[#6@:34](-[#6:32](-[#6@:30](-[#6@:4]-1(-[#8:5])-[H:61])(-[#8:31])-[H:63])=[#8:33])(-[#8:35])-[H:65]>>[H]-[#7](-[H])-[#6@:32]1(-[H])-[#6@:30](-[#8:31])(-[H:63])-[#6@:4](-[#8:5])(-[H:61])-[#8:3]-[#6@@:2]-[#6@:34]-1(-[#8:35])-[H:65].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:33]
EVODEX.1-Em149 - Reaction Operator Em
[#6:30]-[#6:32](=[#8:33])-[#6:34]>>[H]-[#7](-[H])-[#6:32](-[H])(-[#6:30])-[#6:34].[#6](=[#8])-[#6](-[#6])=[#8:33]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3854
[C:1]([C@@:2]1([H:46])[O:3][C@@:4]([O:5][P:6](=[O:7])([O:8][H:47])[O:9][P:10](=[O:11])([O:12][H:48])[O:13][C:14]([C@@:15]2([H:49])[O:16][C@:17]([N:18]3:[C:19]([H:50]):[C:20]([H:51]):[C:21](=[N:22][H:52]):[N:23]([H:53]):[C:24]:3=[O:25])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@@:28]2([O:29][H:57])[H:58])([H:59])[H:60])([H:61])[C@@:30]([O:31][H:62])([H:63])[C:32](=[O:33])[C@@:34]1([O:35][H:64])[H:65])([H:66])([H:67])[H:68].[H][C@:37]([N:36]([H:76])[H:77])([C:38]([C:39]([C:40](=[O:41])[O:42][H:69])([H:70])[H:71])([H:72])[H:73])[C:43](=[O:44])[O:45][H:74]>>[H][C@@:32]1([N:36]([H:76])[H:77])[C@:30]([O:31][H:62])([H:63])[C@:4]([O:5][P:6](=[O:7])([O:8][H:47])[O:9][P:10](=[O:11])([O:12][H:48])[O:13][C:14]([C@@:15]2([H:49])[O:16][C@:17]([N:18]3:[C:19]([H:50]):[C:20]([H:51]):[C:21](=[N:22][H:52]):[N:23]([H:53]):[C:24]:3=[O:25])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@@:28]2([O:29][H:57])[H:58])([H:59])[H:60])([H:61])[O:3][C@@:2]([C:1]([H:66])([H:67])[H:68])([H:46])[C@:34]1([O:35][H:64])[H:65].[O:33]=[C:37]([C:38]([C:39]([C:40](=[O:41])[O:42][H:69])([H:70])[H:71])([H:72])[H:73])[C:43](=[O:44])[O:45][H:74]