SMIRKS
[H][N:5]([C@@:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:53])([H:54])[H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:53])([H:54])[H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56])N([H])[H]):C([H]):C:1[H].[H][O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70]
Derived Operators
EVODEX.1-F451 - Elemental Balance
| P | -2 |
| O | -7 |
| C | -1 |
| N | -4 |
| H | -4 |
EVODEX.1-M434 - Mass Difference
-245.95562
EVODEX.1-E1260 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:41]-[#15:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:1](-[#6:2])(-[H:69])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:69].[#8:41](-[#15:42])-[H]
EVODEX.1-C854 - Reaction Operator C
[H]-[#7:1].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:43]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]
EVODEX.1-N1065 - Reaction Operator N
[H]-[#7:1](-[#6@@:2])-[H:57].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:43]-[#15:44]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6@@:2])-[H:57])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]-[#15:44]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7822
[H][N:5]([C@@:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:53])([H:54])[H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[N:22]([C:23]1:[N:24]:[C:25]([H:64]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:65]):[N:31]:2[C@:32]1([H:66])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:67])[O:40][P:41](=[O:42])([O:43][H:68])[O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70])([H:71])[H:72])([H:73])[C@:49]([O:50][H:74])([H:75])[C@:51]1([O:52][H:76])[H:77])([H:78])[H:79].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])([C:19](=[O:20])[O:21][H:87])[H:88])([H:89])[H:90]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C@:4]([N:5]([C:19]([C@@:10]([N:9]([H:89])[H:90])([C:11]([C:12]1:[C:13]([H:80]):[C:14]([H:81]):[C:15]([O:16][H:82]):[C:17]([H:83]):[C:18]:1[H:84])([H:85])[H:86])[H:88])=[O:20])[H:56])([C:6](=[O:7])[O:8][H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:73])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:64]):[N:24]:[C:23]([N:22]([H:78])[H:79]):[C:28]:3:[N:29]:[C:30]:2[H:65])([H:66])[C@@:51]([O:52][H:76])([H:77])[C@@:49]1([O:50][H:74])[H:75])([H:71])[H:72])(=[O:38])[O:39][H:67])(=[O:42])[O:43][H:68])[H:87].[H][O:44][P:45](=[O:46])([O:47][H:69])[O:48][H:70]