SMIRKS
[H][N:5]([C@@:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:55])([H:56])[H:57])[H:62])([C:6](=[O:7])[O:8][H:60])[H:61])[H:58].[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:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:55])([H:56])[H:57])[H:62])([C:6](=[O:7])[O:8][H:60])[H:61])[H:58])N([H])[H]):C([H]):N:2[H].[H][O:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72]
Derived Operators
EVODEX.1-F579 - Elemental Balance
| P | -2 |
| O | -8 |
| C | 1 |
| N | -3 |
| H | -3 |
EVODEX.1-M546 - Mass Difference
-222.93959
EVODEX.1-E1403 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:59])-[H].[#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])-[#8:45]-[#15:46])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59].[#8:45](-[#15:46])-[H]
EVODEX.1-C851 - Reaction Operator C
[H]-[#7:5].[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])-[#8:46]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]
EVODEX.1-N1062 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:58].[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])-[#8:46]-[#15:47]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:58])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8:46]-[#15:47]
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-R7814
[H][N:5]([C@@:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:55])([H:56])[H:57])[H:62])([C:6](=[O:7])[O:8][H:60])[H:61])[H:58].[N:24]([C:25]1:[N:26]:[C:27]([H:66]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:67]):[N:33]:2[C@:34]1([H:68])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:69])[O:42][P:43](=[O:44])([O:45][H:70])[O:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72])([H:73])[H:74])([H:75])[C@:51]([O:52][H:76])([H:77])[C@:53]1([O:54][H:78])[H:79])([H:80])[H:81].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:82]):[N:14]([H:83]):[C:15]2:[C:16]([H:84]):[C:17]([H:85]):[C:18]([H:86]):[C:19]([H:87]):[C:20]:1:2)([H:88])[H:89])([C:21](=[O:22])[O:23][H:90])[H:91])([H:92])[H:93]>>[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])([C@:4]([N:5]([C:21]([C@@:10]([N:9]([H:92])[H:93])([C:11]([C:12]1:[C:13]([H:82]):[N:14]([H:83]):[C:15]2:[C:16]([H:84]):[C:17]([H:85]):[C:18]([H:86]):[C:19]([H:87]):[C:20]:1:2)([H:88])[H:89])[H:91])=[O:22])[H:58])([C:6](=[O:7])[O:8][H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:75])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:66]):[N:26]:[C:25]([N:24]([H:80])[H:81]):[C:30]:3:[N:31]:[C:32]:2[H:67])([H:68])[C@@:53]([O:54][H:78])([H:79])[C@@:51]1([O:52][H:76])[H:77])([H:73])[H:74])(=[O:40])[O:41][H:69])(=[O:44])[O:45][H:70])[H:90].[H][O:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72]