SMIRKS
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:53])([H:54])[H:55])[H:62])([H:60])[H:61])([C:7](=[O:8])[O:9][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:82])[O:48][H:83]>>[H]C1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:53])([H:54])[H:55])[H:62])([H:60])[H:61])([C:7](=[O:8])[O:9][H:58])[H:59])[H:56])N([H])[H]):C([H]):C:1[H].[H][O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83]
Derived Operators
EVODEX.1-F572 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -1 |
| N | -4 |
| H | -4 |
EVODEX.1-M540 - Mass Difference
-261.95052
EVODEX.1-E1395 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:56])-[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])-[#8:42]-[#15:43])(-[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]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:56].[#8:42](-[#15:43])-[H]
EVODEX.1-C845 - 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])-[#8:43]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H].[H]-[#8:43]
EVODEX.1-N1056 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:55].[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]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:55])-[#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-R7781
[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:53])([H:54])[H:55])[H:62])([H:60])[H:61])([C:7](=[O:8])[O:9][H:58])[H:59])[H:56].[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:66]):[C:15]([H:67]):[C:16]([H:68]):[C:17]([H:69]):[C:18]:1[H:70])([H:71])[H:72])([C:19](=[O:20])[O:21][H:73])[H:74])([H:75])[H:76].[N:22]([C:23]1:[N:24]:[C:25]([H:77]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:78]):[N:31]:2[C@:32]1([H:79])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:80])[O:40][P:41](=[O:42])([O:43][H:81])[O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83])([H:84])[H:85])([H:86])[C@:49]([O:50][H:87])([H:88])[C@:51]1([O:52][H:89])[H:90])([H:91])[H:92]>>[C:1]([C:2]([C:3]([H:53])([H:54])[H:55])([C:4]([C@:5]([N:6]([C:19]([C@@:11]([N:10]([H:75])[H:76])([C:12]([C:13]1:[C:14]([H:66]):[C:15]([H:67]):[C:16]([H:68]):[C:17]([H:69]):[C:18]:1[H:70])([H:71])[H:72])[H:74])=[O:20])[H:56])([C:7](=[O:8])[O:9][H:58])[H:59])([H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[O:21]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:86])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:77]):[N:24]:[C:23]([N:22]([H:91])[H:92]):[C:28]:3:[N:29]:[C:30]:2[H:78])([H:79])[C@@:51]([O:52][H:89])([H:90])[C@@:49]1([O:50][H:87])[H:88])([H:84])[H:85])(=[O:38])[O:39][H:80])(=[O:42])[O:43][H:81])[H:73].[H][O:44][P:45](=[O:46])([O:47][H:82])[O:48][H:83]