SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:19](=[O:20])([O:21][H:58])[O:22][H:59].[H][O:30][C:31]([C@@:32]1([H:69])[O:33][C@:34]([O:35][C@@:36]2([H:70])[C@@:37]([O:38][H:71])([H:72])[C@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[O:43][C@@:44]2([C:45]([O:46][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:47]([O:48][H:82])([H:83])[C@:49]([O:50][H:84])([H:85])[C@@:51]1([O:52][H:86])[H:87])([H:88])[H:89]>>[P:19](=[O:20])([O:21][H:58])([O:22][H:59])[O:30][C:31]([C@@:32]1([H:69])[O:33][C@:34]([O:35][C@@:36]2([H:70])[C@@:37]([O:38][H:71])([H:72])[C@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[O:43][C@@:44]2([C:45]([O:46][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:47]([O:48][H:82])([H:83])[C@:49]([O:50][H:84])([H:85])[C@@:51]1([O:52][H:86])[H:87])([H:88])[H:89]
Derived Operators
EVODEX.1-F401 - Elemental Balance
| P | -2 |
| O | -11 |
| C | -9 |
| N | -3 |
| H | -15 |
EVODEX.1-M394 - Mass Difference
-403.01825
EVODEX.1-E1207 - Reaction Operator E
[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1)(-[H])-[H].[#6:31]-[#8:32]-[H]>>[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:32]-[#6:31]
EVODEX.1-C469 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[H]-[#8:32]>>[#15:19]-[#8:32]
EVODEX.1-N572 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22].[H]-[#8:32]-[#6:31]>>[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:32]-[#6:31]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4152
[N:1]([C:2]1:[C:3]([H:53]):[C:4]([H:54]):[N:5]([C@:6]2([H:55])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:56])[O:14][P:15](=[O:16])([O:17][H:57])[O:18][P:19](=[O:20])([O:21][H:58])[O:22][H:59])([H:60])[H:61])([H:62])[C@:23]([O:24][H:63])([H:64])[C@:25]2([O:26][H:65])[H:66]):[C:27](=[O:28]):[N:29]:1)([H:67])[H:68].[H][O:30][C:31]([C@@:32]1([H:69])[O:33][C@:34]([O:35][C@@:36]2([H:70])[C@@:37]([O:38][H:71])([H:72])[C@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[O:43][C@@:44]2([C:45]([O:46][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:47]([O:48][H:82])([H:83])[C@:49]([O:50][H:84])([H:85])[C@@:51]1([O:52][H:86])[H:87])([H:88])[H:89]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:62])[O:7][C@:6]([N:5]2:[C:4]([H:54]):[C:3]([H:53]):[C:2]([N:1]([H:67])[H:68]):[N:29]:[C:27]:2=[O:28])([H:55])[C@@:25]([O:26][H:65])([H:66])[C@@:23]1([O:24][H:63])[H:64])([H:60])[H:61])(=[O:12])[O:13][H:56])(=[O:16])[O:17][H:57].[P:19](=[O:20])([O:21][H:58])([O:22][H:59])[O:30][C:31]([C@@:32]1([H:69])[O:33][C@:34]([O:35][C@@:36]2([H:70])[C@@:37]([O:38][H:71])([H:72])[C@:39]([O:40][H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[O:43][C@@:44]2([C:45]([O:46][H:77])([H:78])[H:79])[H:80])([H:81])[C@@:47]([O:48][H:82])([H:83])[C@:49]([O:50][H:84])([H:85])[C@@:51]1([O:52][H:86])[H:87])([H:88])[H:89]