SMIRKS
[O:80]=[C:81]([O:82][H:133])[C:83]([C:84](=[O:85])[O:86][H:134])([H:135])[H:136]>>[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:82][H:133].[H][C:81](=[O:80])[C:83]([C:84](=[O:85])[O:86][H:134])([H:135])[H:136]
Derived Operators
EVODEX.1-F215 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 14 |
EVODEX.1-M285 - Mass Difference
331.06832
EVODEX.1-E922 - Reaction Operator E
[#6:53]-[#6:54](=[#8:55])-[#8:56]-[H:121]>>[#6:53]-[#6:54](=[#8:55])-[H].[#8:56](-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])-[H:121]
EVODEX.1-C233 - Reaction Operator C
[#6:81]-[#8:82]>>[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])-[#8:82].[H]-[#6:81]
EVODEX.1-N217 - Reaction Operator N
[#8:80]=[#6:81](-[#8:82]-[H:136])-[#6:83]>>[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])-[#8:82]-[H:136].[H]-[#6:81](=[#8:80])-[#6:83]
EVODEX.1-Em308 - Reaction Operator Em
[#8:80]=[#6:81](-[#8:82])-[#6:83]>>[#8]-[#15](=[#8])(-[#8])-[#8:82].[H]-[#6:81](=[#8:80])-[#6:83]
EVODEX.1-Nm301 - Reaction Operator Nm
[#8:80]=[#6:81](-[#8:82])-[#6:83]>>[#8]-[#15](=[#8])(-[#8])-[#8:82].[H]-[#6:81](=[#8:80])-[#6:83]
Source Full Reactions
EVODEX.1-R682
[HH].[H][C:48]1([H:113])[C:4]([C:2]([N:1]([H:115])[H:116])=[O:3])=[C:5]([H:87])[N:6]([C@:7]2([H:88])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:89])[O:15][P:16](=[O:17])([O:18][H:90])[O:19][C:20]([C@@:21]3([H:91])[O:22][C@:23]([N:24]4:[C:25]([H:92]):[N:26]:[C:27]5:[C:28]([N:29]([H:93])[H:94]):[N:30]:[C:31]([H:95]):[N:32]:[C:33]:4:5)([H:96])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:97])[O:39][H:98])([H:99])[C@@:40]3([O:41][H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[C@:42]([O:43][H:107])([H:108])[C@:44]2([O:45][H:109])[H:110])[C:46]([H:111])=[C:47]1[H:112].[N:49]([C:50]1:[N:51]:[C:52]([H:117]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:118]):[N:58]:2[C@:59]1([H:119])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:120])[O:67][P:68](=[O:69])([O:70][H:121])[O:71][P:72](=[O:73])([O:74][H:122])[O:75][H:123])([H:124])[H:125])([H:126])[C@:76]([O:77][H:127])([H:128])[C@:78]1([O:79][H:129])[H:130])([H:131])[H:132].[O:80]=[C:81]([O:82][H:133])[C:83]([C:84](=[O:85])[O:86][H:134])([H:135])[H:136]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:87]):[N+:6]([C@:7]2([H:88])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:89])[O:15][P:16](=[O:17])([O:18][H:90])[O:19][C:20]([C@@:21]3([H:91])[O:22][C@:23]([N:24]4:[C:25]([H:92]):[N:26]:[C:27]5:[C:28]([N:29]([H:93])[H:94]):[N:30]:[C:31]([H:95]):[N:32]:[C:33]:4:5)([H:96])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:97])[O:39][H:98])([H:99])[C@@:40]3([O:41][H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[C@:42]([O:43][H:107])([H:108])[C@:44]2([O:45][H:109])[H:110]):[C:46]([H:111]):[C:47]([H:112]):[C:48]:1[H:113])([H:115])[H:116].[N:49]([C:50]1:[N:51]:[C:52]([H:117]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:118]):[N:58]:2[C@:59]1([H:119])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:120])[O:82][H:133])([H:124])[H:125])([H:126])[C@:76]([O:77][H:127])([H:128])[C@:78]1([O:79][H:129])[H:130])([H:131])[H:132].[H][C:81](=[O:80])[C:83]([C:84](=[O:85])[O:86][H:134])([H:135])[H:136].[H][O:67][P:68](=[O:69])([O:70][H:121])[O:71][P:72](=[O:73])([O:74][H:122])[O:75][H:123]