SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:56]):[N:8]:2[C@:9]2([H:57])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:58])[O:17][P:18](=[O:19])([O:20][H:59])[O:21][P:22](=[O:23])([O:24][H:60])[O:25][H:61])([H:62])[H:63])([H:64])[C@:26]([O:27][H:65])([H:66])[C@:28]2([O:29][H:67])[H:68]):[C:30](=[O:31]):[N:32]:1[H:69])([H:70])[H:71]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:64])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:70])[H:71]):[N:32]([H:69]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:56])([H:57])[C@@:28]([O:29][H:67])([H:68])[C@@:26]1([O:27][H:65])[H:66])([H:62])[H:63])(=[O:15])[O:16][H:58])(=[O:19])[O:20][H:59].[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])O[P:22](=[O:23])([O:24][H:60])[O:25][H:61]
Derived Operators
EVODEX.1-F283 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 10 |
| N | 5 |
| H | 14 |
EVODEX.1-M78 - Mass Difference
347.06321999999994
EVODEX.1-E1038 - Reaction Operator E
[#8:24]=[#15:25](-[#8:26])(-[#8:27])-[#8:28]-[#15:29]>>[#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]-[#15:25](=[#8:24])(-[#8:26])-[#8:27])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:28](-[#15:29])-[H]
EVODEX.1-C1071 - Reaction Operator C
([#8:21]-[#15:22].[#6@:26]-[#6@:28])>>([H]-[#8:21].[#6@@:28]-[#6@@:26]).[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]-[#15:22]
EVODEX.1-N1677 - Reaction Operator N
([#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:66])-[#6@:28](-[#6@:9])(-[#8:29])-[H:68])>>([H]-[#8:21]-[#15:18].[#8:29]-[#6@:28](-[#6@:9])(-[H:68])-[#6@@:26](-[#6@@:11])(-[#8:27])-[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]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4223
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:56]):[N:8]:2[C@:9]2([H:57])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:58])[O:17][P:18](=[O:19])([O:20][H:59])[O:21][P:22](=[O:23])([O:24][H:60])[O:25][H:61])([H:62])[H:63])([H:64])[C@:26]([O:27][H:65])([H:66])[C@:28]2([O:29][H:67])[H:68]):[C:30](=[O:31]):[N:32]:1[H:69])([H:70])[H:71].[H][O:50][P:48]([O:47][C:46]([C@@:45]1([H:79])[O:44][C@:43]([N:42]2:[C:38]3:[N:37]:[C:36]([H:72]):[N:35]:[C:34]([N:33]([H:84])[H:85]):[C:39]:3:[N:40]:[C:41]:2[H:73])([H:74])[C@@:54]([O:55][H:82])([H:83])[C@@:52]1([O:53][H:80])[H:81])([H:77])[H:78])(=[O:49])[O:51][H:76]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:64])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:70])[H:71]):[N:32]([H:69]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:56])([H:57])[C@@:28]([O:29][H:67])([H:68])[C@@:26]1([O:27][H:65])[H:66])([H:62])[H:63])(=[O:15])[O:16][H:58])(=[O:19])[O:20][H:59].[P:22](=[O:23])([O:24][H:60])([O:25][H:61])[O:50][P:48]([O:47][C:46]([C@@:45]1([H:79])[O:44][C@:43]([N:42]2:[C:38]3:[N:37]:[C:36]([H:72]):[N:35]:[C:34]([N:33]([H:84])[H:85]):[C:39]:3:[N:40]:[C:41]:2[H:73])([H:74])[C@@:54]([O:55][H:82])([H:83])[C@@:52]1([O:53][H:80])[H:81])([H:77])[H:78])(=[O:49])[O:51][H:76]