SMIRKS
[H]O[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([N:7]([H:62])[H:63])[H:65])=[O:9].[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:81])[O:48][H:82]>>[H]OC(=O)[C@@]([H])(N([H])[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([N:7]([H:62])[H:63])[H:65])=[O:9])C([H])([H])C1:N:C([H]):N([H]):C:1[H].[H][O:44][P:45](=[O:46])([O:47][H:81])[O:48][H:82]
Derived Operators
EVODEX.1-F555 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M172 - Mass Difference
-271.95998000000003
EVODEX.1-E1377 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8]-[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])-[#8:44]-[#15:45])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:44](-[#15:45])-[H]
EVODEX.1-C793 - Reaction Operator C
[H]-[#8]-[#6:8].[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])-[#8:44]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[H]-[#8:44]
EVODEX.1-N1004 - Reaction Operator N
[H]-[#8]-[#6:8](-[#6@:6])=[#8:9].[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])-[#8:44]-[#15:45]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6@:6])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].[H]-[#8:44]-[#15:45]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7862
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[O:10][H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[N:22]([C:23]1:[N:24]:[C:25]([H:76]):[N:26]:[C:27]2:[C:28]:1:[N:29]:[C:30]([H:77]):[N:31]:2[C@:32]1([H:78])[O:33][C@@:34]([C:35]([O:36][P:37](=[O:38])([O:39][H:79])[O:40][P:41](=[O:42])([O:43][H:80])[O:44][P:45](=[O:46])([O:47][H:81])[O:48][H:82])([H:83])[H:84])([H:85])[C@:49]([O:50][H:86])([H:87])[C@:51]1([O:52][H:88])[H:89])([H:90])[H:91]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:62])[H:63])([C:8](=[O:9])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:53]):[N:16]([H:54]):[C:17]([H:55]):[N:18]:1)([H:56])[H:57])([C:19](=[O:20])[O:21][H:58])[H:59])[H:60])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:10]([P:41]([O:40][P:37]([O:36][C:35]([C@@:34]1([H:85])[O:33][C@:32]([N:31]2:[C:27]3:[N:26]:[C:25]([H:76]):[N:24]:[C:23]([N:22]([H:90])[H:91]):[C:28]:3:[N:29]:[C:30]:2[H:77])([H:78])[C@@:51]([O:52][H:88])([H:89])[C@@:49]1([O:50][H:86])[H:87])([H:83])[H:84])(=[O:38])[O:39][H:79])(=[O:42])[O:43][H:80])[H:64].[H][O:44][P:45](=[O:46])([O:47][H:81])[O:48][H:82]