SMIRKS
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([C:4]([H:49])([H:50])[H:51])[H:56])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[H]OP(=O)(O[H])O[P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:71])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:62]):[N:12]:[C:11]([N:10]([H:76])[H:77]):[C:16]:3:[N:17]:[C:18]:2[H:63])([H:64])[C@@:39]([O:40][H:74])([H:75])[C@@:37]1([O:38][H:72])[H:73])([H:69])[H:70])(=[O:26])[O:27][H:65])(=[O:30])[O:31][H:66]>>[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([C:4]([H:49])([H:50])[H:51])[H:56])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[H]O[P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:71])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:62]):[N:12]:[C:11]([N:10]([H:76])[H:77]):[C:16]:3:[N:17]:[C:18]:2[H:63])([H:64])[C@@:39]([O:40][H:74])([H:75])[C@@:37]1([O:38][H:72])[H:73])([H:69])[H:70])(=[O:26])[O:27][H:65])(=[O:30])[O:31][H:66]
Derived Operators
EVODEX.1-F567 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 5 |
| N | 1 |
| H | 6 |
EVODEX.1-M535 - Mass Difference
17.08648
EVODEX.1-E1390 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:51].[#8]-[H]
EVODEX.1-C846 - Reaction Operator C
[H]-[#7:6].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6].[H]-[#8]
EVODEX.1-N1057 - Reaction Operator N
[H]-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:49].[H]-[#8]
Source Full Reactions
EVODEX.1-R7794
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([C:4]([H:49])([H:50])[H:51])[H:56])([C:7](=[O:8])[O:9][H:54])[H:55])[H:52].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[O:41]=[C:42]([O:43][H:78])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86]>>[C:1]([C:2]([C@:3]([C:4]([H:49])([H:50])[H:51])([C@:5]([N:6]([C:42](=[O:41])[C@:44]1([H:79])[C:45]([H:80])([H:81])[C:46]([H:82])([H:83])[C:47]([H:84])([H:85])[N:48]1[H:86])[H:52])([C:7](=[O:8])[O:9][H:54])[H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[N:10]([C:11]1:[N:12]:[C:13]([H:62]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:63]):[N:19]:2[C@:20]1([H:64])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:65])[O:28][P:29](=[O:30])([O:31][H:66])[O:43][H:78])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]1([O:40][H:74])[H:75])([H:76])[H:77].[H][O:32][P:33](=[O:34])([O:35][H:67])[O:36][H:68]