SMIRKS
[H]OP(=O)(O[H])O[P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:58])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:49]):[N:12]:[C:11]([N:10]([H:63])[H:64]):[C:16]:3:[N:17]:[C:18]:2[H:50])([H:51])[C@@:39]([O:40][H:61])([H:62])[C@@:37]1([O:38][H:59])[H:60])([H:56])[H:57])(=[O:26])[O:27][H:52])(=[O:30])[O:31][H:53].[H][N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])[H:70]>>[H]O[P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:58])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([H:49]):[N:12]:[C:11]([N:10]([H:63])[H:64]):[C:16]:3:[N:17]:[C:18]:2[H:50])([H:51])[C@@:39]([O:40][H:61])([H:62])[C@@:37]1([O:38][H:59])[H:60])([H:56])[H:57])(=[O:26])[O:27][H:52])(=[O:30])[O:31][H:53].[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])[H:70]
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-R7791
[N:10]([C:11]1:[N:12]:[C:13]([H:49]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:50]):[N:19]:2[C@:20]1([H:51])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:52])[O:28][P:29](=[O:30])([O:31][H:53])[O:32][P:33](=[O:34])([O:35][H:54])[O:36][H:55])([H:56])[H:57])([H:58])[C@:37]([O:38][H:59])([H:60])[C@:39]1([O:40][H:61])[H:62])([H:63])[H:64].[H][N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])[H:70].[O:41]=[C:42]([O:43][H:72])[C@:44]1([H:73])[C:45]([H:74])([H:75])[C:46]([H:76])([H:77])[C:47]([H:78])([H:79])[N:48]1[H:80]>>[N:10]([C:11]1:[N:12]:[C:13]([H:49]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:50]):[N:19]:2[C@:20]1([H:51])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:52])[O:28][P:29](=[O:30])([O:31][H:53])[O:43][H:72])([H:56])[H:57])([H:58])[C@:37]([O:38][H:59])([H:60])[C@:39]1([O:40][H:61])[H:62])([H:63])[H:64].[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:65])([H:66])[H:67])([C:7](=[O:8])[O:9][H:68])[H:69])([C:42](=[O:41])[C@:44]1([H:73])[C:45]([H:74])([H:75])[C:46]([H:76])([H:77])[C:47]([H:78])([H:79])[N:48]1[H:80])[H:70].[H][O:32][P:33](=[O:34])([O:35][H:54])[O:36][H:55]