SMIRKS
[H][N:16]([C:14]([N:13]([C:12]([C:11]([O:10][P:7]([O:6][C:5]([C@:4]([N:2]([C:1]([H:67])([H:68])[H:69])[C:3]([H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:65])[H:66])([H:63])[H:64])(=[O:8])[O:9][H:54])([H:61])[H:62])([H:59])[H:60])[H:58])=[N:15][H:55])[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[P:43](=[O:44])([O:45][H:75])[O:46][H:76]>>[C:1]([N:2]([C:3]([H:51])([H:52])[H:53])[C@@:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:54])[O:10][C:11]([C:12]([N:13]([C:14](=[N:15][H:55])[N:16]([P:43](=[O:44])([O:45][H:75])[O:46][H:76])[H:56])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([C:17](=[O:18])[O:19][H:65])[H:66])([H:67])([H:68])[H:69]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E757 - Reaction Operator E
[#6:10]-[#7:12](-[H:46])-[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]-[#15:36](=[#8:37])(-[#8:38])-[#8:39])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:10]-[#7:12](-[#15:36](=[#8:37])(-[#8:38])-[#8:39])-[H:46]
EVODEX.1-C1329 - Reaction Operator C
([H]-[#7:16].[#6@:4]).[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]-[#15:43]>>([#7:16]-[#15:43].[#6@@:4])
EVODEX.1-N1673 - Reaction Operator N
([H]-[#7:16](-[#6:14])-[H:56].[#6:5]-[#6@:4](-[#7:2])(-[#6:17])-[H:66]).[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]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>([#7:2]-[#6@@:4](-[#6:5])(-[#6:17])-[H:66].[#6:14]-[#7:16](-[#15:43](=[#8:44])(-[#8:45])-[#8:46])-[H:56])
EVODEX.1-Em559 - Reaction Operator Em
[H]-[#7:16]-[#6:14].[#15]-[#8]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>[#6:14]-[#7:16]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]
EVODEX.1-Nm505 - Reaction Operator Nm
[H]-[#7:16]-[#6:14].[#15]-[#8]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>[#6:14]-[#7:16]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4212
[H][N:16]([C:14]([N:13]([C:12]([C:11]([O:10][P:7]([O:6][C:5]([C@:4]([N:2]([C:1]([H:67])([H:68])[H:69])[C:3]([H:51])([H:52])[H:53])([C:17](=[O:18])[O:19][H:65])[H:66])([H:63])[H:64])(=[O:8])[O:9][H:54])([H:61])[H:62])([H:59])[H:60])[H:58])=[N:15][H:55])[H:56].[N:20]([C:21]1:[N:22]:[C:23]([H:70]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:71]):[N:29]:2[C@:30]1([H:72])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:73])[O:38][P:39](=[O:40])([O:41][H:74])[O:42][P:43](=[O:44])([O:45][H:75])[O:46][H:76])([H:77])[H:78])([H:79])[C@:47]([O:48][H:80])([H:81])[C@:49]1([O:50][H:82])[H:83])([H:84])[H:85]>>[C:1]([N:2]([C:3]([H:51])([H:52])[H:53])[C@@:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:54])[O:10][C:11]([C:12]([N:13]([C:14](=[N:15][H:55])[N:16]([P:43](=[O:44])([O:45][H:75])[O:46][H:76])[H:56])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([C:17](=[O:18])[O:19][H:65])[H:66])([H:67])([H:68])[H:69].[H][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:79])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:70]):[N:22]:[C:21]([N:20]([H:84])[H:85]):[C:26]:3:[N:27]:[C:28]:2[H:71])([H:72])[C@@:49]([O:50][H:82])([H:83])[C@@:47]1([O:48][H:80])[H:81])([H:77])[H:78])(=[O:36])[O:37][H:73])(=[O:40])[O:41][H:74]