SMIRKS
[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63])([H:64])[H:65])([H:66])[C@:23]([O:24][H:67])([H:68])[C@:25]2([O:26][H:69])[H:70]):[C:27](=[O:28]):[N:29]:1)([H:71])[H:72]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:15]([O:14][P:11]([O:10][C:9]([C@@:8]2([H:66])[O:7][C@:6]([N:5]3:[C:4]([H:58]):[C:3]([H:57]):[C:2]([N:1]([H:71])[H:72]):[N:29]:[C:27]:3=[O:28])([H:59])[C@@:25]([O:26][H:69])([H:70])[C@@:23]2([O:24][H:67])[H:68])([H:64])[H:65])(=[O:12])[O:13][H:60])(=[O:16])[O:17][H:61])O[C@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63]
Derived Operators
EVODEX.1-F385 - Elemental Balance
| P | 2 |
| O | 10 |
| C | 10 |
| N | 5 |
| H | 15 |
EVODEX.1-M27 - Mass Difference
427.02955
EVODEX.1-E1182 - Reaction Operator E
[#15:47]-[#8:50]-[#15:51](=[#8:52])(-[#8:53])-[#8:54]>>[#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]-[#15:51](=[#8:52])(-[#8:53])-[#8:54])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#15:47]-[#8:50]-[H]
EVODEX.1-C1334 - Reaction Operator C
([#15:15]-[#8:18].[#6@:23]-[#6@:25])>>([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:15])-[#8]-[#6@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#6@@:25]-[#6@@:23]).[H]-[#8:18]
EVODEX.1-N1685 - Reaction Operator N
([#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]-[#15:19].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:68])-[#6@:25](-[#6@:6])(-[#8:26])-[H:70])>>([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:15](-[#8:14])(=[#8:16])-[#8:17])-[#8]-[#6@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#8:26]-[#6@:25](-[#6@:6])(-[H:70])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:68]).[H]-[#8:18]-[#15:19]
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-R4286
[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63])([H:64])[H:65])([H:66])[C@:23]([O:24][H:67])([H:68])[C@:25]2([O:26][H:69])[H:70]):[C:27](=[O:28]):[N:29]:1)([H:71])[H:72].[H][O:51][P:49]([O:48][P:45]([O:44][C:43]([C@:42]1([H:81])[O:41][C@@:40]([N:39]2:[C:35]3:[N:34]:[C:33]([H:73]):[N:32]:[C:31]([N:30]([H:86])[H:87]):[C:36]:3:[N:37]:[C:38]:2[H:74])([H:75])[C@:55]([O:56][H:84])([H:85])[C@:53]1([O:54][H:82])[H:83])([H:79])[H:80])(=[O:46])[O:47][H:76])(=[O:50])[O:52][H:78]>>[N:1]([C:2]1:[C:3]([H:57]):[C:4]([H:58]):[N:5]([C@:6]2([H:59])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:60])[O:14][P:15](=[O:16])([O:17][H:61])[O:51][P:49]([O:48][P:45]([O:44][C:43]([C@:42]3([H:81])[O:41][C@@:40]([N:39]4:[C:35]5:[N:34]:[C:33]([H:73]):[N:32]:[C:31]([N:30]([H:86])[H:87]):[C:36]:5:[N:37]:[C:38]:4[H:74])([H:75])[C@:55]([O:56][H:84])([H:85])[C@:53]3([O:54][H:82])[H:83])([H:79])[H:80])(=[O:46])[O:47][H:76])(=[O:50])[O:52][H:78])([H:64])[H:65])([H:66])[C@:23]([O:24][H:67])([H:68])[C@:25]2([O:26][H:69])[H:70]):[C:27](=[O:28]):[N:29]:1)([H:71])[H:72].[H][O:18][P:19](=[O:20])([O:21][H:62])[O:22][H:63]